ChemSpider 2D Image | N-(4-Chlorobenzyl)-8-[(3-cyanobenzyl)amino]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-cinnolinecarboxamide | C30H29ClN6O3

N-(4-Chlorobenzyl)-8-[(3-cyanobenzyl)amino]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-cinnolinecarboxamide

  • Molecular FormulaC30H29ClN6O3
  • Average mass557.043 Da
  • Monoisotopic mass556.198975 Da
  • ChemSpider ID8385151

More details:

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

3-Cinnolinecarboxamide, N-[(4-chlorophenyl)methyl]-8-[[(3-cyanophenyl)methyl]amino]-1,4-dihydro-1-methyl-6-(4-morpholinylmethyl)-4-oxo- [ACD/Index Name]
N-(4-Chlorbenzyl)-8-[(3-cyanbenzyl)amino]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-cinnolincarboxamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-8-[(3-cyanobenzyl)amino]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-cinnolinecarboxamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-8-[(3-cyanobenzyl)amino]-1-méthyl-6-(4-morpholinylméthyl)-4-oxo-1,4-dihydro-3-cinnolinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 18.65
ACD/KOC (pH 5.5): 172.85
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 99.26
ACD/KOC (pH 7.4): 920.12
Polar Surface Area: 110 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 414.1±7.0 cm3

Click to predict properties on the Chemicalize site


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