ChemSpider 2D Image | N-(6-{[(3,4-Dichlorophenyl)carbamoyl]amino}-2-methyl-4-quinolinyl)-2-(4-ethyl-1-piperazinyl)acetamide | C25H28Cl2N6O2

N-(6-{[(3,4-Dichlorophenyl)carbamoyl]amino}-2-methyl-4-quinolinyl)-2-(4-ethyl-1-piperazinyl)acetamide

  • Molecular FormulaC25H28Cl2N6O2
  • Average mass515.435 Da
  • Monoisotopic mass514.165100 Da
  • ChemSpider ID23344809

More details:

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

1-Piperazineacetamide, N-[6-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-2-methyl-4-quinolinyl]-4-ethyl- [ACD/Index Name]
N-(6-{[(3,4-Dichlorophényl)carbamoyl]amino}-2-méthyl-4-quinoléinyl)-2-(4-éthyl-1-pipérazinyl)acétamide [French] [ACD/IUPAC Name]
N-(6-{[(3,4-Dichlorophenyl)carbamoyl]amino}-2-methyl-4-quinolinyl)-2-(4-ethyl-1-piperazinyl)acetamide [ACD/IUPAC Name]
N-(6-{[(3,4-Dichlorphenyl)carbamoyl]amino}-2-methyl-4-chinolinyl)-2-(4-ethyl-1-piperazinyl)acetamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517419/
N-(6-{[(3,4-Dichloroanilino)carbonyl]amino}-2-methylquinolin-4-yl)-2-(4-ethylpiperazin-1-yl)acetamide
N-(6-{[(3,4-dichlorophenyl)carbamoyl]amino}-2-methylquinolin-4-yl)-2-(4-ethylpiperazin-1-yl)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 338.85
ACD/KOC (pH 7.4): 1617.21
Polar Surface Area: 90 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 372.6±3.0 cm3

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