ChemSpider 2D Image | Ethyl 4-({[(2,5-difluorophenyl)carbamoyl](4-methylbenzyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C25H27F2N3O3

Ethyl 4-({[(2,5-difluorophenyl)carbamoyl](4-methylbenzyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC25H27F2N3O3
  • Average mass455.497 Da
  • Monoisotopic mass455.202057 Da
  • ChemSpider ID29051747

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[[[(2,5-difluorophenyl)amino]carbonyl][(4-methylphenyl)methyl]amino]methyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-({[(2,5-Difluorophényl)carbamoyl](4-méthylbenzyl)amino}méthyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({[(2,5-difluorophenyl)carbamoyl](4-methylbenzyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-({[(2,5-difluorphenyl)carbamoyl](4-methylbenzyl)amino}methyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-{[{[(2,5-difluorophenyl)amino]carbonyl}(4-methylbenzyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11806.42
ACD/KOC (pH 5.5): 28602.58
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11805.50
ACD/KOC (pH 7.4): 28600.35
Polar Surface Area: 74 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 357.6±3.0 cm3

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