ChemSpider 2D Image | N-(Methoxycarbonyl)-3-methyl-D-valyl-(5R)-5-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-N-{1-[(1-piperidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide | C40H50N6O9S

N-(Methoxycarbonyl)-3-methyl-D-valyl-(5R)-5-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-N-{1-[(1-piperidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide

  • Molecular FormulaC40H50N6O9S
  • Average mass790.925 Da
  • Monoisotopic mass790.335999 Da
  • ChemSpider ID9414805

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-(methoxycarbonyl)-3-methyl-D-valyl-N-[2-ethenyl-1-[[(1-piperidinylsulfonyl)amino]carbonyl]cyclopropyl]-5-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-, (5R)- [ACD/Index Name]
N-(Methoxycarbonyl)-3-methyl-D-valyl-(5R)-5-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]-N-{1-[(1-piperidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-(Méthoxycarbonyl)-3-méthyl-D-valyl-(5R)-5-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]-N-{1-[(1-pipéridinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-(Methoxycarbonyl)-3-methyl-D-valyl-(5R)-5-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-N-{1-[(1-piperidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide [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: 1.642
Molar Refractivity: 209.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 71.72
ACD/KOC (pH 5.5): 472.75
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 23.27
ACD/KOC (pH 7.4): 153.39
Polar Surface Area: 194 Å2
Polarizability: 83.0±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 580.0±5.0 cm3

Click to predict properties on the Chemicalize site


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