ChemSpider 2D Image | N-[(4S,5S,7R)-7-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]carbamoyl}-5-hydroxy-2-methyl-4-nonanyl]-3-[(benzylsulfonyl)(methyl)amino]benzamide | C38H52N4O6S

N-[(4S,5S,7R)-7-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]carbamoyl}-5-hydroxy-2-methyl-4-nonanyl]-3-[(benzylsulfonyl)(methyl)amino]benzamide

  • Molecular FormulaC38H52N4O6S
  • Average mass692.908 Da
  • Monoisotopic mass692.360779 Da
  • ChemSpider ID9483471

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(1S,2S,4R)-2-hydroxy-4-[[[(1S)-2-methyl-1-[[(phenylmethyl)amino]carbonyl]propyl]amino]carbonyl]-1-(2-methylpropyl)hexyl]-3-[methyl[(phenylmethyl)sulfonyl]amino]- [ACD/Index Name]
N-[(4S,5S,7R)-7-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]carbamoyl}-5-hydroxy-2-methyl-4-nonanyl]-3-[(benzylsulfonyl)(methyl)amino]benzamid [German] [ACD/IUPAC Name]
N-[(4S,5S,7R)-7-{[(2S)-1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]carbamoyl}-5-hydroxy-2-methyl-4-nonanyl]-3-[(benzylsulfonyl)(methyl)amino]benzamide [ACD/IUPAC Name]
N-[(4S,5S,7R)-7-{[(2S)-1-(Benzylamino)-3-méthyl-1-oxo-2-butanyl]carbamoyl}-5-hydroxy-2-méthyl-4-nonanyl]-3-[(benzylsulfonyl)(méthyl)amino]benzamide [French] [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: 1.577
Molar Refractivity: 194.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3484.24
ACD/KOC (pH 5.5): 11940.83
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3484.23
ACD/KOC (pH 7.4): 11940.83
Polar Surface Area: 153 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 586.0±3.0 cm3

Click to predict properties on the Chemicalize site


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