ChemSpider 2D Image | 4-(4-Chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide | C29H37ClN4O3

4-(4-Chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC29H37ClN4O3
  • Average mass525.082 Da
  • Monoisotopic mass524.255432 Da
  • ChemSpider ID28509599

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenyl- [ACD/Index Name]
4-(4-Chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-(4-Chlorophényl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-méthyl-1-pipérazinyl)propyl]-3-phényl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide
4-(4-Chlorphenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.8±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: 384.9±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.03
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 13.91
ACD/KOC (pH 7.4): 155.54
Polar Surface Area: 81 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 422.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement