-
Name
N-[2-[3-(1-Piperazinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-quinoxalinecarboxamide
- EINECS
- CAS No. 925434-55-5
- Article Data2
- CAS DataBase
- Density 1.46g/cm3
- Solubility
- Melting Point 221°C
- Formula C25H23N7OS
- Boiling Point
- Molecular Weight 469.57
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)quinoxaline-2-carboxamide;
- PSA 115.69000
- LogP 4.00320
N-[2-[3-(1-Piperazinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-quinoxalinecarboxamide Specification
The N-[2-[3-(1-Piperazinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-quinoxalinecarboxamide, with CAS registry number 925434-55-5, has the synonyms of N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)quinoxaline-2-carboxamide. Its molecular weight is 469.571. And the chemical formula of this chemical is C25H23N7OS.
Physical properties of N-[2-[3-(1-Piperazinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-quinoxalinecarboxamide: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 115.69 Å2; (7)Index of Refraction: 1.779; (8)Molar Refractivity: 134.31 cm3; (9)Molar Volume: 320.4 cm3; (10)Polarizability: 53.24×10-24cm3; (11)Surface Tension: 65.9 dyne/cm; (12)Density: 1.46 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc4ccccc4c1cn2c(csc2n1)CN3CCNCC3)c5cnc6ccccc6n5
(2)InChI: InChI=1/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
(3)InChIKey: IASPBORHOMBZMY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
(5)Std. InChIKey: IASPBORHOMBZMY-UHFFFAOYSA-N
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