ChemSpider 2D Image | 1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea | C22H28N4O4

1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea

  • Molecular FormulaC22H28N4O4
  • Average mass412.482 Da
  • Monoisotopic mass412.211060 Da
  • ChemSpider ID35035556

  • 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-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(2,5-diméthoxyphényl)-1-pyrrolidinyl]-2-oxoéthyl}urée [French] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2r)-2-(2,5-Dimethoxyphenyl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
Urea, N-[(4-aminophenyl)methyl]-N'-[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]- [ACD/Index Name]
67Z

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.82
ACD/KOC (pH 5.5): 105.52
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.11
ACD/KOC (pH 7.4): 111.82
Polar Surface Area: 106 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 334.0±3.0 cm3

Click to predict properties on the Chemicalize site


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