ChemSpider 2D Image | N-{(3R)-1-[2-(4-Chlorophenoxy)ethyl]-3-pyrrolidinyl}-N-methyl-3-{methyl[(4-phenoxyphenyl)carbamoyl]amino}-1-pyrrolidinecarboxamide | C32H38ClN5O4

N-{(3R)-1-[2-(4-Chlorophenoxy)ethyl]-3-pyrrolidinyl}-N-methyl-3-{methyl[(4-phenoxyphenyl)carbamoyl]amino}-1-pyrrolidinecarboxamide

  • Molecular FormulaC32H38ClN5O4
  • Average mass592.128 Da
  • Monoisotopic mass591.261230 Da
  • ChemSpider ID8433349

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Pyrrolidinecarboxamide, N-[(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-pyrrolidinyl]-N-methyl-3-[methyl[[(4-phenoxyphenyl)amino]carbonyl]amino]- [ACD/Index Name]
N-{(3R)-1-[2-(4-Chlorophenoxy)ethyl]-3-pyrrolidinyl}-N-methyl-3-{methyl[(4-phenoxyphenyl)carbamoyl]amino}-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-{(3R)-1-[2-(4-Chlorophénoxy)éthyl]-3-pyrrolidinyl}-N-méthyl-3-{méthyl[(4-phénoxyphényl)carbamoyl]amino}-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-{(3R)-1-[2-(4-Chlorphenoxy)ethyl]-3-pyrrolidinyl}-N-methyl-3-{methyl[(4-phenoxyphenyl)carbamoyl]amino}-1-pyrrolidincarboxamid [German] [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: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 22.47
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 283.89
ACD/KOC (pH 7.4): 1038.31
Polar Surface Area: 78 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

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