ChemSpider 2D Image | 4-[(4-Methoxy-3-nitrophenyl)sulfonyl]-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinecarboxamide | C16H21N7O6S

4-[(4-Methoxy-3-nitrophenyl)sulfonyl]-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinecarboxamide

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID22405532

More details:

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

1-Piperazinecarboxamide, 4-[(4-methoxy-3-nitrophenyl)sulfonyl]-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
4-[(4-Methoxy-3-nitrophenyl)sulfonyl]-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-[(4-Methoxy-3-nitrophenyl)sulfonyl]-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[(4-Méthoxy-3-nitrophényl)sulfonyl]-N-[(4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]-1-pipérazinecarboxamide [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: 1.694
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 60.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 60.19
Polar Surface Area: 164 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


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