Product Name

  • Name

    4-Hydroxy-N-[4-methoxy-7-(4-morpholinyl)-2-benzothiazolyl]-4-methyl-1-piperidinecarboxamide

  • EINECS
  • CAS No. 870070-55-6
  • Article Data3
  • CAS DataBase
  • Density 1.375 g/cm3
  • Solubility
  • Melting Point
  • Formula C19H26N4O4S
  • Boiling Point
  • Molecular Weight 406.506
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 870070-55-6 (4-Hydroxy-N-[4-methoxy-7-(4-morpholinyl)-2-benzothiazolyl]-4-methyl-1-piperidinecarboxamide)
  • Hazard Symbols
  • Synonyms TOZADENANT; 4-hydroxy-4-methyl-piperidine-1-carboxylic acid(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide; SYN-115; 4-hydroxy-n-(4-methoxy-7-(4-morpholinyl)-2-benzothiazolyl)-4-methyl-1-piperidinecarboxamide; Tozadenant (USAN); 4-Hydroxy-N-(4-methoxy-7-morpholinobenzo(d)thiazol-2-yl)-4-methylpiperidine-1-carboxamide
  • PSA 115.40000
  • LogP 2.59610

SYN-115 Specification

The SYN-115, with the CAS registry number 870070-55-6, is also known as 4-Hydroxy-N-[4-methoxy-7-(4-morpholinyl)-2-benzothiazolyl]-4-methyl-1-piperidinecarboxamide. This chemical's molecular formula is C19H26N4O4S and molecular weight is 406.50. What's more, both its IUPAC name and systematic name are the same which is called 4-Hydroxy-N-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4-methyl-1-piperidinecarboxamide.

Physical properties about SYN-115 are: (1)ACD/LogP: 1.509; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 115.4 Å2; (7)Index of Refraction: 1.662; (8)Molar Refractivity: 109.389 cm3; (9)Molar Volume: 295.649 cm3; (10)Polarizability: 43.365×10-24cm3; (11)Surface Tension: 67.454 dyne/cm; (12)Density: 1.375 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCC(O)(C)CC1)Nc2nc3c(OC)ccc(c3s2)N4CCOCC4
(2) InChI: InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
(3) InChIKey: XNBRWUQWSKXMPW-UHFFFAOYSA-N

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