ChemSpider 2D Image | 1-(3,4-Dichlorophenyl)-2-({4-[4-(2-methyl-2-propanyl)phenyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone | C27H25Cl2N3O2S

1-(3,4-Dichlorophenyl)-2-({4-[4-(2-methyl-2-propanyl)phenyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID3082324

More details:

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

1-(3,4-Dichlorophenyl)-2-({4-[4-(2-methyl-2-propanyl)phenyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone [ACD/IUPAC Name]
1-(3,4-Dichlorophényl)-2-({4-[4-(2-méthyl-2-propanyl)phényl]-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl}sulfanyl)éthanone [French] [ACD/IUPAC Name]
1-(3,4-Dichlorphenyl)-2-({4-[4-(2-methyl-2-propanyl)phenyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-(3,4-dichlorophenyl)-2-[[4-[4-(1,1-dimethylethyl)phenyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
2-[4-(4-tert-Butyl-phenyl)-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(3,4-dichloro-phenyl)-ethanone
2-{[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 703.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.3±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 129198.24
ACD/KOC (pH 5.5): 158567.41
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 129199.80
ACD/KOC (pH 7.4): 158569.31
Polar Surface Area: 82 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 412.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement