ChemSpider 2D Image | 3-(Diethylamino)-N-[(2R)-1-(2'-{[(ethylcarbamoyl)amino]methyl}-4-biphenylyl)-1-oxo-4-phenyl-2-butanyl]-1-propanesulfonamide | C33H44N4O4S

3-(Diethylamino)-N-[(2R)-1-(2'-{[(ethylcarbamoyl)amino]methyl}-4-biphenylyl)-1-oxo-4-phenyl-2-butanyl]-1-propanesulfonamide

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID9817558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Propanesulfonamide, 3-(diethylamino)-N-[(1R)-1-[[2'-[[[(ethylamino)carbonyl]amino]methyl][1,1'-biphenyl]-4-yl]carbonyl]-3-phenylpropyl]- [ACD/Index Name]
3-(Diethylamino)-N-[(2R)-1-(2'-{[(ethylcarbamoyl)amino]methyl}-4-biphenylyl)-1-oxo-4-phenyl-2-butanyl]-1-propanesulfonamide [ACD/IUPAC Name]
3-(Diéthylamino)-N-[(2R)-1-(2'-{[(éthylcarbamoyl)amino]méthyl}-4-biphénylyl)-1-oxo-4-phényl-2-butanyl]-1-propanesulfonamide [French] [ACD/IUPAC Name]
3-(Diethylamino)-N-[(2R)-1-(2'-{[(ethylcarbamoyl)amino]methyl}-4-biphenylyl)-1-oxo-4-phenyl-2-butanyl]-1-propansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 169.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 11.50
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 13.99
ACD/KOC (pH 7.4): 45.17
Polar Surface Area: 116 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 513.6±3.0 cm3

Click to predict properties on the Chemicalize site


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