ChemSpider 2D Image | N-{[4-(2-Cyanoethyl)-1-piperazinyl]carbonothioyl}-3,5-dinitrobenzamide | C15H16N6O5S

N-{[4-(2-Cyanoethyl)-1-piperazinyl]carbonothioyl}-3,5-dinitrobenzamide

  • Molecular FormulaC15H16N6O5S
  • Average mass392.390 Da
  • Monoisotopic mass392.090302 Da
  • ChemSpider ID26242054

More details:

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

Benzamide, N-[[4-(2-cyanoethyl)-1-piperazinyl]thioxomethyl]-3,5-dinitro- [ACD/Index Name]
N-{[4-(2-Cyanethyl)-1-piperazinyl]carbonothioyl}-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-{[4-(2-Cyanoethyl)-1-piperazinyl]carbonothioyl}-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-{[4-(2-Cyanoéthyl)-1-pipérazinyl]carbonothioyl}-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.19
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.55
Polar Surface Area: 183 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

Click to predict properties on the Chemicalize site


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