ChemSpider 2D Image | Ethyl 4-({6-[4-(ethoxycarbonyl)-1-piperazinyl]-1,2,4-benzotriazin-3-yl}carbonyl)-1-piperazinecarboxylate | C22H29N7O5

Ethyl 4-({6-[4-(ethoxycarbonyl)-1-piperazinyl]-1,2,4-benzotriazin-3-yl}carbonyl)-1-piperazinecarboxylate

  • Molecular FormulaC22H29N7O5
  • Average mass471.510 Da
  • Monoisotopic mass471.223022 Da
  • ChemSpider ID25964514

More details:

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

1-Piperazinecarboxylic acid, 4-[[6-[4-(ethoxycarbonyl)-1-piperazinyl]-1,2,4-benzotriazin-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-({6-[4-(Éthoxycarbonyl)-1-pipérazinyl]-1,2,4-benzotriazin-3-yl}carbonyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({6-[4-(ethoxycarbonyl)-1-piperazinyl]-1,2,4-benzotriazin-3-yl}carbonyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({6-[4-(ethoxycarbonyl)-1-piperazinyl]-1,2,4-benzotriazin-3-yl}carbonyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-{3-[4-(ethoxycarbonyl)piperazine-1-carbonyl]-1,2,4-benzotriazin-6-yl}piperazine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.9±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.97
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.39
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 74.39
Polar Surface Area: 121 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 351.0±3.0 cm3

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