ChemSpider 2D Image | N~2~-sec-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~2~-[(4-ethoxyphenyl)carbamoyl]-N-isobutylglycinamide | C31H41ClN4O3

N2-sec-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N2-[(4-ethoxyphenyl)carbamoyl]-N-isobutylglycinamide

  • Molecular FormulaC31H41ClN4O3
  • Average mass553.135 Da
  • Monoisotopic mass552.286743 Da
  • ChemSpider ID3733669

More details:

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

Acetamide, N-[[1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl]methyl]-2-[[[(4-ethoxyphenyl)amino]carbonyl](1-methylpropyl)amino]-N-(2-methylpropyl)- [ACD/Index Name]
N2-sec-Butyl-N-{[1-(2-chlorbenzyl)-1H-pyrrol-2-yl]methyl}-N2-[(4-ethoxyphenyl)carbamoyl]-N-isobutylglycinamid [German] [ACD/IUPAC Name]
N2-sec-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N2-[(4-ethoxyphenyl)carbamoyl]-N-isobutylglycinamide [ACD/IUPAC Name]
N2-sec-Butyl-N-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]méthyl}-N2-[(4-éthoxyphényl)carbamoyl]-N-isobutylglycinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 715.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 159.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20187.20
ACD/KOC (pH 5.5): 41990.66
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20188.13
ACD/KOC (pH 7.4): 41992.60
Polar Surface Area: 67 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 488.4±7.0 cm3

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