ChemSpider 2D Image | N-(4-Chlorophenyl)-4-(N-cyano-N'-{2-[(dimethylamino)methyl]phenyl}carbamimidoyl)-2-phenyl-1-piperazinecarboxamide | C28H30ClN7O

N-(4-Chlorophenyl)-4-(N-cyano-N'-{2-[(dimethylamino)methyl]phenyl}carbamimidoyl)-2-phenyl-1-piperazinecarboxamide

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID23341328

More details:

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

1-Piperazinecarboxamide, N-(4-chlorophenyl)-4-[(E)-(cyanoimino)[[2-[(dimethylamino)methyl]phenyl]amino]methyl]-2-phenyl- [ACD/Index Name]
N-(4-Chlorophenyl)-4-(N-cyano-N'-{2-[(dimethylamino)methyl]phenyl}carbamimidoyl)-2-phenyl-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(4-Chlorophényl)-4-(N-cyano-N'-{2-[(diméthylamino)méthyl]phényl}carbamimidoyl)-2-phényl-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(4-Chlorphenyl)-4-(N-cyan-N'-{2-[(dimethylamino)methyl]phenyl}carbamimidoyl)-2-phenyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(carbamimidoyl)-N-(4-chlorophenyl)-2-phenylpiperazine-1-carboxamide
CHEMBL479577
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479577/
N-(4-chlorophenyl)-4-(N'-cyano-N-{2-[(dimethylamino)methyl]phenyl}carbamimidoyl)-2-phenylpiperazine-1-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 149.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.48
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 29.19
ACD/KOC (pH 7.4): 186.98
Polar Surface Area: 87 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 416.8±7.0 cm3

Click to predict properties on the Chemicalize site


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