ChemSpider 2D Image | Ethyl 4-[3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-1-piperazinecarboxylate | C36H43N5O5

Ethyl 4-[3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl]-1-piperazinecarboxylate

  • Molecular FormulaC36H43N5O5
  • Average mass625.757 Da
  • Monoisotopic mass625.326416 Da
  • ChemSpider ID22474974

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[[4-(1,1-dimethylethyl)benzoyl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]-, ethyl ester [ACD/Index Name]
4-[3-{[4-(2-Méthyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)benzoyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl]-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: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 175.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.28
ACD/KOC (pH 5.5): 1450.00
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.54
ACD/KOC (pH 7.4): 1452.05
Polar Surface Area: 103 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 476.5±5.0 cm3

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