ChemSpider 2D Image | (3R,5R)-7-[1-(4-Fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid | C33H33FN2O5

(3R,5R)-7-[1-(4-Fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC33H33FN2O5
  • Average mass556.624 Da
  • Monoisotopic mass556.237366 Da
  • ChemSpider ID9687384

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-7-[1-(4-Fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[1-(4-Fluorphenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[2,3-c]chinolin-2-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
3H-Pyrrolo[2,3-c]quinoline-2-heptanoic acid, 1-(4-fluorophenyl)-4,5-dihydro-β,δ-dihydroxy-3-(1-methylethyl)-4-oxo-5-phenyl-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[1-(4-fluorophényl)-3-isopropyl-4-oxo-5-phényl-4,5-dihydro-3H-pyrrolo[2,3-c]quinoléin-2-yl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
HR1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 817.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.2±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 51.08
ACD/KOC (pH 5.5): 245.93
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
Polar Surface Area: 103 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 429.5±7.0 cm3

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