ChemSpider 2D Image | (3R,5R)-7-{3-(4-Fluorophenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid | C33H36FN3O7S

(3R,5R)-7-{3-(4-Fluorophenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC33H36FN3O7S
  • Average mass637.718 Da
  • Monoisotopic mass637.225769 Da
  • ChemSpider ID9938293

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3r,5r)-7-{3-(4-Fluorophenyl)-1-(1-Methylethyl)-4-Phenyl-5-[(4-Sulfamoylphenyl)carbamoyl]-1h-Pyrrol-2-Yl}-3,5-Dihydroxyheptanoic Acid
(3R,5R)-7-{3-(4-Fluorophenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-{3-(4-Fluorphenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-2-heptanoic acid, 5-[[[4-(aminosulfonyl)phenyl]amino]carbonyl]-3-(4-fluorophenyl)-β,δ-dihydroxy-1-(1-methylethyl)-4-phenyl-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-{3-(4-fluorophényl)-1-isopropyl-4-phényl-5-[(4-sulfamoylphényl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
8HI

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: 1.630
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 47.71
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 468.7±7.0 cm3

Click to predict properties on the Chemicalize site


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