ChemSpider 2D Image | Benzyl 4-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-1-piperazinecarboxylate | C34H39Cl2N3O5

Benzyl 4-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-1-piperazinecarboxylate

  • Molecular FormulaC34H39Cl2N3O5
  • Average mass640.597 Da
  • Monoisotopic mass639.226685 Da
  • ChemSpider ID26385590

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[[4-chloro-2-[(2-chlorophenyl)hydroxymethyl]phenyl](2,2-dimethylpropyl)amino]-1,4-dioxobutyl]-, phenylmethyl ester [ACD/Index Name]
4-{4-[{4-Chloro-2-[(2-chlorophényl)(hydroxy)méthyl]phényl}(2,2-diméthylpropyl)amino]-4-oxobutanoyl}-1-pipérazinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Benzyl-4-{4-[{4-chlor-2-[(2-chlorphenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-1-piperazincarboxylat [German] [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: 797.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.2±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20674.63
ACD/KOC (pH 5.5): 42714.58
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20674.61
ACD/KOC (pH 7.4): 42714.53
Polar Surface Area: 90 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 498.3±3.0 cm3

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