ChemSpider 2D Image | 1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea | C21H26N4O3

1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea

  • Molecular FormulaC21H26N4O3
  • Average mass382.456 Da
  • Monoisotopic mass382.200500 Da
  • ChemSpider ID35035609
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2-méthoxyphényl)-1-pyrrolidinyl]-2-oxoéthyl}urée [French] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2r)-2-(2-Methoxyphenyl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
Urea, N-[(4-aminophenyl)methyl]-N'-[2-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]- [ACD/Index Name]
7B7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 680.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.5±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 131.67
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.96
ACD/KOC (pH 7.4): 139.53
Polar Surface Area: 97 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

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