ChemSpider 2D Image | N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-{(1S)-1-hydroxy-3-phenyl-1-[(4S)-1,2,2-trimethyl-5-oxo-4-imidazolidinyl]-2-propanyl}-5-[methyl(methylsulfonyl)amino]isophthalamide | C33H40FN5O6S

N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-{(1S)-1-hydroxy-3-phenyl-1-[(4S)-1,2,2-trimethyl-5-oxo-4-imidazolidinyl]-2-propanyl}-5-[methyl(methylsulfonyl)amino]isophthalamide

  • Molecular FormulaC33H40FN5O6S
  • Average mass653.764 Da
  • Monoisotopic mass653.268311 Da
  • ChemSpider ID20561754

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1-[(1R)-1-(4-fluorophenyl)ethyl]-N3-[(2S)-2-hydroxy-1-(phenylmethyl)-2-[(4S)-1,2,2-trimethyl-5-oxo-4-imidazolidinyl]ethyl]-5-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
N-[(1R)-1-(4-Fluorophényl)éthyl]-N'-{(1S)-1-hydroxy-3-phényl-1-[(4S)-1,2,2-triméthyl-5-oxo-4-imidazolidinyl]-2-propanyl}-5-[méthyl(méthylsulfonyl)amino]isophtalamide [French] [ACD/IUPAC Name]
N-[(1R)-1-(4-Fluorophenyl)ethyl]-N'-{(1S)-1-hydroxy-3-phenyl-1-[(4S)-1,2,2-trimethyl-5-oxo-4-imidazolidinyl]-2-propanyl}-5-[methyl(methylsulfonyl)amino]isophthalamide [ACD/IUPAC Name]
N-[(1R)-1-(4-Fluorphenyl)ethyl]-N'-{(1S)-1-hydroxy-3-phenyl-1-[(4S)-1,2,2-trimethyl-5-oxo-4-imidazolidinyl]-2-propanyl}-5-[methyl(methylsulfonyl)amino]isophthalamid [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.21
ACD/KOC (pH 5.5): 435.35
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.45
ACD/KOC (pH 7.4): 438.49
Polar Surface Area: 157 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 507.7±3.0 cm3

Click to predict properties on the Chemicalize site


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