ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperazinecarboxylate | C27H36N4O5

2-Methyl-2-propanyl 4-({1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperazinecarboxylate

  • Molecular FormulaC27H36N4O5
  • Average mass496.599 Da
  • Monoisotopic mass496.268585 Da
  • ChemSpider ID29792991

More details:

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

1-Piperazinecarboxylic acid, 4-[[[2-[[(4-methoxyphenyl)methyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-({1-[(4-Méthoxybenzyl)amino]-1-oxo-3-phényl-2-propanyl}carbamoyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-[(1-{[(4-METHOXYPHENYL)METHYL]CARBAMOYL}-2-PHENYLETHYL)CARBAMOYL]PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 753.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.5±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.12
ACD/KOC (pH 5.5): 1621.41
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.11
ACD/KOC (pH 7.4): 1621.31
Polar Surface Area: 100 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 417.1±3.0 cm3

Click to predict properties on the Chemicalize site


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