ChemSpider 2D Image | 6-(4-Chlorobenzyl)-3-[4-(4-chloro-3-nitrobenzoyl)-1-piperazinyl]-1,2,4-triazin-5(4H)-one | C21H18Cl2N6O4

6-(4-Chlorobenzyl)-3-[4-(4-chloro-3-nitrobenzoyl)-1-piperazinyl]-1,2,4-triazin-5(4H)-one

  • Molecular FormulaC21H18Cl2N6O4
  • Average mass489.311 Da
  • Monoisotopic mass488.076660 Da
  • ChemSpider ID67052382

More details:

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

1,2,4-Triazin-5(4H)-one, 3-[4-(4-chloro-3-nitrobenzoyl)-1-piperazinyl]-6-[(4-chlorophenyl)methyl]- [ACD/Index Name]
6-(4-Chlorbenzyl)-3-[4-(4-chlor-3-nitrobenzoyl)-1-piperazinyl]-1,2,4-triazin-5(4H)-on [German] [ACD/IUPAC Name]
6-(4-Chlorobenzyl)-3-[4-(4-chloro-3-nitrobenzoyl)-1-piperazinyl]-1,2,4-triazin-5(4H)-one [ACD/IUPAC Name]
6-(4-Chlorobenzyl)-3-[4-(4-chloro-3-nitrobenzoyl)-1-pipérazinyl]-1,2,4-triazin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.12
ACD/KOC (pH 5.5): 348.79
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.59
ACD/KOC (pH 7.4): 341.40
Polar Surface Area: 123 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

Click to predict properties on the Chemicalize site


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