ChemSpider 2D Image | 6-{3-(4-Chlorobenzoyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid | C25H27ClN2O5

6-{3-(4-Chlorobenzoyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid

  • Molecular FormulaC25H27ClN2O5
  • Average mass470.945 Da
  • Monoisotopic mass470.160858 Da
  • ChemSpider ID17769785

More details:

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

1H-Pyrrole-1-hexanoic acid, 3-(4-chlorobenzoyl)-2-[4-(dimethylamino)phenyl]-2,5-dihydro-4-hydroxy-5-oxo- [ACD/Index Name]
6-{3-(4-Chlorbenzoyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexansäure [German] [ACD/IUPAC Name]
6-{3-(4-Chlorobenzoyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid [ACD/IUPAC Name]
Acide 6-{3-(4-chlorobenzoyl)-2-[4-(diméthylamino)phényl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoïque [French] [ACD/IUPAC Name]
6-[3-(4-CHLOROBENZOYL)-2-(4-DIMETHYLAMINOPHENYL)-4-HYDROXY-5-OXO-2H-PYRROL-1-YL]HEXANOIC ACID
6-[3-(4-CHLOROBENZOYL)-2-[4-(DIMETHYLAMINO)PHENYL]-4-HYDROXY-5-OXO-2H-PYRROL-1-YL]HEXANOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 16.70
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 351.9±3.0 cm3

Click to predict properties on the Chemicalize site


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