ChemSpider 2D Image | (2Z,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-5-hydroxy-2-heptenoic acid | C33H33FN2O4

(2Z,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-5-hydroxy-2-heptenoic acid

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID77498761

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,5S)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-5-hydroxy-2-heptenoic acid [ACD/IUPAC Name]
(2Z,5S)-7-[2-(4-Fluorphenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-5-hydroxy-2-heptensäure [German] [ACD/IUPAC Name]
2-Heptenoic acid, 7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]-5-hydroxy-, (2Z,5S)- [ACD/Index Name]
Acide (2Z,5S)-7-[2-(4-fluorophényl)-5-isopropyl-3-phényl-4-(phénylcarbamoyl)-1H-pyrrol-1-yl]-5-hydroxy-2-hepténoïque [French] [ACD/IUPAC Name]
1191901-60-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 154.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 370.06
ACD/KOC (pH 5.5): 1056.56
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 17.39
Polar Surface Area: 92 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 454.7±7.0 cm3

Click to predict properties on the Chemicalize site


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