ChemSpider 2D Image | N-{6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide | C27H29N7O2S

N-{6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID9504710

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole-4-sulfonamide, N-[6-cyano-1,2,3,4-tetrahydro-1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-quinolinyl]-1-methyl-N-[(2-methylphenyl)methyl]- [ACD/Index Name]
N-{6-Cyan-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-chinolinyl}-1-methyl-N-(2-methylbenzyl)-1H-imidazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-{6-Cyano-1-[(1-méthyl-1H-imidazol-5-yl)méthyl]-1,2,3,4-tétrahydro-3-quinoléinyl}-1-méthyl-N-(2-méthylbenzyl)-1H-imidazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-{6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide [ACD/IUPAC Name]
N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide
1-methyl-1H-imidazole-4-sulfonic acid [6-cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydro-quinolin-3-yl]-(2-methyl-benzyl)-amide
tetrahydroquinoline (THQ)-based inhibitor 4f

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 839.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 461.4±37.1 °C
Index of Refraction: 1.677
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 12.89
ACD/KOC (pH 5.5): 112.18
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 117.32
ACD/KOC (pH 7.4): 1020.90
Polar Surface Area: 108 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 391.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement