ChemSpider 2D Image | 3-{[2-(3,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1H)-one | C19H13Cl2N5O3S

3-{[2-(3,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1H)-one

  • Molecular FormulaC19H13Cl2N5O3S
  • Average mass462.309 Da
  • Monoisotopic mass461.011627 Da
  • ChemSpider ID21602061

More details:

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

1,2,4-Triazolo[4,3-b][1,2,4]triazin-7(8H)-one, 3-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-6-(4-methoxyphenyl)- [ACD/Index Name]
3-{[2-(3,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1H)-one [ACD/IUPAC Name]
3-{[2-(3,4-Dichlorophényl)-2-oxoéthyl]sulfanyl}-6-(4-méthoxyphényl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1H)-one [French] [ACD/IUPAC Name]
3-{[2-(3,4-Dichlorphenyl)-2-oxoethyl]sulfanyl}-6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1H)-on [German] [ACD/IUPAC Name]
3-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one

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: 1.742
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 624.62
ACD/KOC (pH 5.5): 3476.60
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 317.23
ACD/KOC (pH 7.4): 1765.67
Polar Surface Area: 124 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


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