ChemSpider 2D Image | Ethyl 4-{6-[2-(diphenylacetyl)hydrazino]-5-nitropyrimidin-4-yl}piperazine-1-carboxylate | C25H27N7O5

Ethyl 4-{6-[2-(diphenylacetyl)hydrazino]-5-nitropyrimidin-4-yl}piperazine-1-carboxylate

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID12064174

More details:

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

1-piperazinecarboxylic acid, 4-[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitro-4-pyrimidinyl]-, ethyl ester
Ethyl 4-{6-[2-(diphenylacetyl)hydrazino]-5-nitropyrimidin-4-yl}piperazine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 927.27
ACD/KOC (pH 5.5): 4562.61
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 974.99
ACD/KOC (pH 7.4): 4797.41
Polar Surface Area: 146 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 371.6±3.0 cm3

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