ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{6-[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-1-piperazinyl]-2-propyl-4-pyrimidinyl}-1-piperazinecarboxylate | C27H37N7O4

2-Methyl-2-propanyl 4-{6-[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-1-piperazinyl]-2-propyl-4-pyrimidinyl}-1-piperazinecarboxylate

  • Molecular FormulaC27H37N7O4
  • Average mass523.627 Da
  • Monoisotopic mass523.290710 Da
  • ChemSpider ID121850811

More details:

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

1-Piperazinecarboxylic acid, 4-[6-[4-(2,3-dihydro-2-oxo-5-benzoxazolyl)-1-piperazinyl]-2-propyl-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{6-[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-1-piperazinyl]-2-propyl-4-pyrimidinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{6-[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-1-piperazinyl]-2-propyl-4-pyrimidinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{6-[4-(2-Oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-1-pipérazinyl]-2-propyl-4-pyrimidinyl}-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.06
Polar Surface Area: 103 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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