ChemSpider 2D Image | Ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoate | C26H25Cl2FN4O3

Ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoate

  • Molecular FormulaC26H25Cl2FN4O3
  • Average mass531.406 Da
  • Monoisotopic mass530.128784 Da
  • ChemSpider ID13162779

More details:

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

3-{[(3,4-Dichlorophényl)carbamoyl]amino}-4-[4-(2-fluorophényl)-1-pipérazinyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-4-[4-(2-fluorophenyl)-1-piperazinyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoate [ACD/IUPAC Name]
Ethyl-3-{[(3,4-dichlorphenyl)carbamoyl]amino}-4-[4-(2-fluorphenyl)-1-piperazinyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 13934.17
ACD/KOC (pH 5.5): 26853.76
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26110.02
ACD/KOC (pH 7.4): 50318.91
Polar Surface Area: 74 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 379.9±3.0 cm3

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