ChemSpider 2D Image | 1-[(3'-Cyano-4-biphenylyl)methyl]-3-(3,5-dichlorophenyl)-1-[3-(1-pyrrolidinyl)propyl]urea | C28H28Cl2N4O

1-[(3'-Cyano-4-biphenylyl)methyl]-3-(3,5-dichlorophenyl)-1-[3-(1-pyrrolidinyl)propyl]urea

  • Molecular FormulaC28H28Cl2N4O
  • Average mass507.454 Da
  • Monoisotopic mass506.164032 Da
  • ChemSpider ID23263817

More details:






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

1-[(3'-Cyan-4-biphenylyl)methyl]-3-(3,5-dichlorphenyl)-1-[3-(1-pyrrolidinyl)propyl]harnstoff [German] [ACD/IUPAC Name]
1-[(3'-Cyano-4-biphenylyl)methyl]-3-(3,5-dichlorophenyl)-1-[3-(1-pyrrolidinyl)propyl]urea [ACD/IUPAC Name]
1-[(3'-Cyano-4-biphénylyl)méthyl]-3-(3,5-dichlorophényl)-1-[3-(1-pyrrolidinyl)propyl]urée [French] [ACD/IUPAC Name]
1-[(3'-cyanobiphenyl-4-yl)methyl]-3-(3,5-dichlorophenyl)-1-[3-(pyrrolidin-1-yl)propyl]urea
urea, N-[(3'-cyano[1,1'-biphenyl]-4-yl)methyl]-N'-(3,5-dichlorophenyl)-N-[3-(1-pyrrolidinyl)propyl]- [ACD/Index Name]
1-(3'-cyano-biphenyl-4-ylmethyl)-3-(3,5-dichloro-phenyl)-1-(3-pyrrolidin-1-yl-propyl)-urea
CHEMBL373036

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 54.01
ACD/KOC (pH 5.5): 80.26
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 181.54
ACD/KOC (pH 7.4): 269.74
Polar Surface Area: 59 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 384.9±5.0 cm3

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