ChemSpider 2D Image | N-[(2S,3R)-4-{[(2-Acetamido-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-(2,6-dimethylphenoxy)acetamide | C33H41N5O6S

N-[(2S,3R)-4-{[(2-Acetamido-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-(2,6-dimethylphenoxy)acetamide

  • Molecular FormulaC33H41N5O6S
  • Average mass635.773 Da
  • Monoisotopic mass635.277771 Da
  • ChemSpider ID2282044

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(1S,2R)-3-[[[2-(acetylamino)-1H-benzimidazol-6-yl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-(2,6-dimethylphenoxy)- [ACD/Index Name]
N-[(2S,3R)-4-{[(2-Acetamido-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-(2,6-dimethylphenoxy)acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2-Acetamido-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]-2-(2,6-dimethylphenoxy)acetamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2-Acétamido-1H-benzimidazol-6-yl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]-2-(2,6-diméthylphénoxy)acétamide [French] [ACD/IUPAC Name]
N-{(1S,2R)-3-[{[2-(Acetylamino)-1H-benzimidazol-5-yl]sulfonyl}(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-2-(2,6-dimethylphenoxy)acetamide

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

AIDS223663 [DBID]
AIDS-223663 [DBID]

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: 1.624
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1761.00
ACD/KOC (pH 5.5): 7234.63
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1805.63
ACD/KOC (pH 7.4): 7417.98
Polar Surface Area: 162 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 492.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement