ChemSpider 2D Image | N-[(2S)-3-Cyclopentyl-1-{[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-propanyl]-1-phenyl-1H-1,2,3-triazole-5-carboxamide | C29H35N7O5S

N-[(2S)-3-Cyclopentyl-1-{[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-propanyl]-1-phenyl-1H-1,2,3-triazole-5-carboxamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID8546694

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-1,2,3-Triazole-5-carboxamide, N-[(1S)-1-(cyclopentylmethyl)-2-[[(4S,7R)-hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]-2-oxoethyl]-1-phenyl- [ACD/Index Name]
N-[(2S)-3-Cyclopentyl-1-{[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-propanyl]-1-phenyl-1H-1,2,3-triazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Cyclopentyl-1-{[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-propanyl]-1-phenyl-1H-1,2,3-triazole-5-carboxamide [ACD/IUPAC Name]
N-[(2S)-3-Cyclopentyl-1-{[(4S,7R)-7-méthyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azépanyl]amino}-1-oxo-2-propanyl]-1-phényl-1H-1,2,3-triazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 158.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.73
ACD/KOC (pH 5.5): 304.76
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.72
ACD/KOC (pH 7.4): 304.76
Polar Surface Area: 165 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 412.3±7.0 cm3

Click to predict properties on the Chemicalize site


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