ChemSpider 2D Image | 1-(2-Chloro-6-fluorobenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidinyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid | C23H29ClFN3O4

1-(2-Chloro-6-fluorobenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidinyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC23H29ClFN3O4
  • Average mass465.945 Da
  • Monoisotopic mass465.183075 Da
  • ChemSpider ID21906197

More details:

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

1-(2-Chlor-6-fluorbenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidinyl]amino}methyl)-2,5-dimethyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Chloro-6-fluorobenzyl)-4-({[1-(ethoxycarbonyl)-4-piperidinyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-[[[4-carboxy-1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methyl]amino]-, 1-ethyl ester [ACD/Index Name]
Acide 1-(2-chloro-6-fluorobenzyl)-4-({[1-(éthoxycarbonyl)-4-pipéridinyl]amino}méthyl)-2,5-diméthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 15.53
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 20.37
Polar Surface Area: 84 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 351.2±7.0 cm3

Click to predict properties on the Chemicalize site


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