ChemSpider 2D Image | 4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexyl-1-piperazinecarboxamide | C34H39N5O5

4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexyl-1-piperazinecarboxamide

  • Molecular FormulaC34H39N5O5
  • Average mass597.704 Da
  • Monoisotopic mass597.295105 Da
  • ChemSpider ID22633012

More details:

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

1-Piperazinecarboxamide, 4-[4-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-N-cyclohexyl- [ACD/Index Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-[benzyl(methyl)carbamoyl]phenyl}-N-cyclohexyl-1-piperazinecarboxamide [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-[benzyl(méthyl)carbamoyl]phényl}-N-cyclohexyl-1-pipérazinecarboxamide [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: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.7±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 155.08
ACD/KOC (pH 5.5): 1286.29
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.41
ACD/KOC (pH 7.4): 1289.06
Polar Surface Area: 103 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 447.4±5.0 cm3

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