ChemSpider 2D Image | 2-Methyl-2-propanyl 4-carbamoyl-3-{[4-(1H-1,2,4-triazol-1-yl)benzyl]carbamoyl}-1-piperazinecarboxylate | C20H27N7O4

2-Methyl-2-propanyl 4-carbamoyl-3-{[4-(1H-1,2,4-triazol-1-yl)benzyl]carbamoyl}-1-piperazinecarboxylate

  • Molecular FormulaC20H27N7O4
  • Average mass429.473 Da
  • Monoisotopic mass429.212463 Da
  • ChemSpider ID30280391

More details:

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

1-Piperazinecarboxylic acid, 4-(aminocarbonyl)-3-[[[[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-carbamoyl-3-{[4-(1H-1,2,4-triazol-1-yl)benzyl]carbamoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-carbamoyl-3-{[4-(1H-1,2,4-triazol-1-yl)benzyl]carbamoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-Carbamoyl-3-{[4-(1H-1,2,4-triazol-1-yl)benzyl]carbamoyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.99
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.69
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 37.72
Polar Surface Area: 136 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 313.2±7.0 cm3

Click to predict properties on the Chemicalize site


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