ChemSpider 2D Image | N-{(3S)-6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-1-methyl-N-(2-methyl-2-propen-1-yl)-1H-imidazole-4-sulfonamide | C23H27N7O2S

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

  • Molecular FormulaC23H27N7O2S
  • Average mass465.571 Da
  • Monoisotopic mass465.194702 Da
  • ChemSpider ID62379150

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Imidazole-4-sulfonamide, N-[(3S)-6-cyano-1,2,3,4-tetrahydro-1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-quinolinyl]-1-methyl-N-(2-methyl-2-propen-1-yl)- [ACD/Index Name]
N-{(3S)-6-Cyan-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-chinolinyl}-1-methyl-N-(2-methyl-2-propen-1-yl)-1H-imidazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-{(3S)-6-Cyano-1-[(1-méthyl-1H-imidazol-5-yl)méthyl]-1,2,3,4-tétrahydro-3-quinoléinyl}-1-méthyl-N-(2-méthyl-2-propén-1-yl)-1H-imidazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-{(3S)-6-Cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-3-quinolinyl}-1-methyl-N-(2-methyl-2-propen-1-yl)-1H-imidazole-4-sulfonamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 425.9±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 34.84
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 22.91
ACD/KOC (pH 7.4): 317.08
Polar Surface Area: 108 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 354.6±7.0 cm3

Click to predict properties on the Chemicalize site


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