ChemSpider 2D Image | 3,5-Dinitro-N-{4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}benzamide | C19H21N7O6

3,5-Dinitro-N-{4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}benzamide

  • Molecular FormulaC19H21N7O6
  • Average mass443.413 Da
  • Monoisotopic mass443.155334 Da
  • ChemSpider ID60213202

More details:

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

3,5-Dinitro-N-{4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}benzamid [German] [ACD/IUPAC Name]
3,5-Dinitro-N-{4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}benzamide [ACD/IUPAC Name]
3,5-Dinitro-N-{4-oxo-4-[4-(2-pyrimidinyl)-1-pipérazinyl]butyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,5-dinitro-N-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- [ACD/Index 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: 1.630
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 82.07
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.79
ACD/KOC (pH 7.4): 106.75
Polar Surface Area: 170 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

Click to predict properties on the Chemicalize site


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