ChemSpider 2D Image | 1-{[3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl}-3-(1,3,4-thiadiazol-2-yl)urea | C13H13N7O2S

1-{[3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl}-3-(1,3,4-thiadiazol-2-yl)urea

  • Molecular FormulaC13H13N7O2S
  • Average mass331.353 Da
  • Monoisotopic mass331.085144 Da
  • ChemSpider ID30322879

More details:

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

1-{[3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl}-3-(1,3,4-thiadiazol-2-yl)harnstoff [German] [ACD/IUPAC Name]
1-{[3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl}-3-(1,3,4-thiadiazol-2-yl)urea [ACD/IUPAC Name]
1-{[3-(4-Méthoxyphényl)-1H-1,2,4-triazol-5-yl]méthyl}-3-(1,3,4-thiadiazol-2-yl)urée [French] [ACD/IUPAC Name]
Urea, N-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methyl]-N'-1,3,4-thiadiazol-2-yl- [ACD/Index 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: 1.692
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 106.05
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 39.10
Polar Surface Area: 146 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 78.3±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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