ChemSpider 2D Image | (3R)-3-({1-[(3,5-Dichlorophenyl)sulfonyl]-2-methyl-L-prolyl}amino)-3-(3'-fluoro-2'-methoxy-4-biphenylyl)propanoic acid | C28H27Cl2FN2O6S

(3R)-3-({1-[(3,5-Dichlorophenyl)sulfonyl]-2-methyl-L-prolyl}amino)-3-(3'-fluoro-2'-methoxy-4-biphenylyl)propanoic acid

  • Molecular FormulaC28H27Cl2FN2O6S
  • Average mass609.493 Da
  • Monoisotopic mass608.095093 Da
  • ChemSpider ID7984779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-({1-[(3,5-Dichlorophenyl)sulfonyl]-2-methyl-L-prolyl}amino)-3-(3'-fluoro-2'-methoxy-4-biphenylyl)propanoic acid [ACD/IUPAC Name]
(3R)-3-({1-[(3,5-dichlorophenyl)sulfonyl]-2-methyl-L-prolyl}amino)-3-(3'-fluoro-2'-methoxybiphenyl-4-yl)propanoic acid
(3R)-3-({1-[(3,5-Dichlorphenyl)sulfonyl]-2-methyl-L-prolyl}amino)-3-(3'-fluor-2'-methoxy-4-biphenylyl)propansäure [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-propanoic acid, β-[[[(2S)-1-[(3,5-dichlorophenyl)sulfonyl]-2-methyl-2-pyrrolidinyl]carbonyl]amino]-3'-fluoro-2'-methoxy-, (βR)- [ACD/Index Name]
Acide (3R)-3-({1-[(3,5-dichlorophényl)sulfonyl]-2-méthyl-L-prolyl}amino)-3-(3'-fluoro-2'-méthoxy-4-biphénylyl)propanoïque [French] [ACD/IUPAC Name]
(R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-3-(3'-fluoro-2'-methoxy-biphenyl-4-yl)-propionic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL310614/

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: 1.611
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 463.38
ACD/KOC (pH 5.5): 1089.95
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 8.34
ACD/KOC (pH 7.4): 19.62
Polar Surface Area: 121 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 432.0±3.0 cm3

Click to predict properties on the Chemicalize site


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