ChemSpider 2D Image | 1-(4-Aminobenzyl)-3-{2-[(2R)-2-(1-naphthyl)-1-pyrrolidinyl]-2-oxoethyl}urea | C24H26N4O2

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

  • Molecular FormulaC24H26N4O2
  • Average mass402.489 Da
  • Monoisotopic mass402.205566 Da
  • ChemSpider ID35035555

  • 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-(1-naphthyl)-1-pyrrolidinyl]-2-oxoethyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(1-naphthyl)-1-pyrrolidinyl]-2-oxoethyl}urea [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2R)-2-(1-naphtyl)-1-pyrrolidinyl]-2-oxoéthyl}urée [French] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-{2-[(2r)-2-(Naphthalen-1-Yl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
Urea, N-[(4-aminophenyl)methyl]-N'-[2-[(2R)-2-(1-naphthalenyl)-1-pyrrolidinyl]-2-oxoethyl]- [ACD/Index Name]

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

671 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.26
ACD/KOC (pH 5.5): 643.42
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.85
ACD/KOC (pH 7.4): 681.81
Polar Surface Area: 87 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

Click to predict properties on the Chemicalize site


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