ChemSpider 2D Image | 1-{2-[(4-Amino-2,6-dichlorophenyl)amino]-2-oxoethyl}-4-[1,1-bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide | C30H33Cl2F2N5O2

1-{2-[(4-Amino-2,6-dichlorophenyl)amino]-2-oxoethyl}-4-[1,1-bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide

  • Molecular FormulaC30H33Cl2F2N5O2
  • Average mass604.518 Da
  • Monoisotopic mass603.197937 Da
  • ChemSpider ID8569315

More details:

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

1-{2-[(4-Amino-2,6-dichlorophenyl)amino]-2-oxoethyl}-4-[1,1-bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide [ACD/IUPAC Name]
1-{2-[(4-Amino-2,6-dichlorophényl)amino]-2-oxoéthyl}-4-[1,1-bis(4-fluorophényl)pentyl]-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
1-{2-[(4-Amino-2,6-dichlorphenyl)amino]-2-oxoethyl}-4-[1,1-bis(4-fluorphenyl)pentyl]-2-piperazincarboxamid [German] [ACD/IUPAC Name]
1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[1,1-bis(4-fluorophenyl)pentyl]- [ACD/Index 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: 708.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 157.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2604.85
ACD/KOC (pH 5.5): 9403.27
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2897.81
ACD/KOC (pH 7.4): 10460.84
Polar Surface Area: 105 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 448.4±3.0 cm3

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