Product Name

  • Name

    N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide

  • EINECS
  • CAS No. 362507-64-0
  • Article Data5
  • CAS DataBase
  • Density 1.349 g/cm3
  • Solubility
  • Melting Point
  • Formula C27H32N4O6S
  • Boiling Point
  • Molecular Weight 540.64
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 362507-64-0 (N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide)
  • Hazard Symbols
  • Synonyms N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide;N-((S)-4-methyl-1-((4R,7S)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylamino)-1-oxopentan-2-yl)benzofuran-2-carboxamide;N-[(2S)-4-Methyl-1-{[(4R,7S)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]amino}-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide;
  • PSA
  • LogP

N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide Specification

The CAS register number of N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide is 362507-64-0. It also can be called as 2-Benzofurancarboxamide,N-[(1S)-1-[[[(4R,7S)-hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]- and the systematic name about this chemical is N-[(2S)-4-methyl-1-{[(4R,7S)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]amino}-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide. The molecular formula about this chemical is C27H32N4O6S and the molecular weight is 540.63.

Physical properties about N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 147.06Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 142.352 cm3; (9)Molar Volume: 400.845 cm3; (10)Polarizability: 56.433x10-24cm3; (11)Surface Tension: 64.171 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ncccc1)N4CC(=O)[C@H](NC(=O)[C@@H](NC(=O)c3oc2ccccc2c3)CC(C)C)CC[C@@H]4C
(2)InChI: InChI=1/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1
(3)InChIKey: BWYBBMQLUKXECQ-TYPHKJRUBA
(4)Std. InChI: InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1
(5)Std. InChIKey: BWYBBMQLUKXECQ-TYPHKJRUSA-N

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