ChemSpider 2D Image | 3-({2-[2-(Ethylsulfanyl)-5-pyrimidinyl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazole-5-carboxamide | C13H13N7O2S

3-({2-[2-(Ethylsulfanyl)-5-pyrimidinyl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazole-5-carboxamide

  • Molecular FormulaC13H13N7O2S
  • Average mass331.353 Da
  • Monoisotopic mass331.085144 Da
  • ChemSpider ID29719541

More details:

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

1,2,4-Oxadiazole-5-carboxamide, 3-[[2-[2-(ethylthio)-5-pyrimidinyl]-1H-imidazol-1-yl]methyl]- [ACD/Index Name]
3-({2-[2-(Ethylsulfanyl)-5-pyrimidinyl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
3-({2-[2-(Ethylsulfanyl)-5-pyrimidinyl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
3-({2-[2-(Éthylsulfanyl)-5-pyrimidinyl]-1H-imidazol-1-yl}méthyl)-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
3-({2-[2-(ethylthio)pyrimidin-5-yl]-1H-imidazol-1-yl}methyl)-1,2,4-oxadiazole-5-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: 630.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±34.3 °C
Index of Refraction: 1.778
Molar Refractivity: 85.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.61
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.64
Polar Surface Area: 151 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 204.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement