ChemSpider 2D Image | N-(3-Nitrophenyl)-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-3-azetidinecarboxamide | C16H14N8O3

N-(3-Nitrophenyl)-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-3-azetidinecarboxamide

  • Molecular FormulaC16H14N8O3
  • Average mass366.334 Da
  • Monoisotopic mass366.118896 Da
  • ChemSpider ID58423071

More details:

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

3-Azetidinecarboxamide, N-(3-nitrophenyl)-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]- [ACD/Index Name]
N-(3-Nitrophenyl)-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-3-azetidincarboxamid [German] [ACD/IUPAC Name]
N-(3-Nitrophenyl)-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-3-azetidinecarboxamide [ACD/IUPAC Name]
N-(3-Nitrophényl)-1-[6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl]-3-azétidinecarboxamide [French] [ACD/IUPAC Name]
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(3-nitrophenyl)azetidine-3-carboxamide

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: 1.801
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 65.98
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 65.99
Polar Surface Area: 135 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 223.8±7.0 cm3

Click to predict properties on the Chemicalize site


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