ChemSpider 2D Image | N-[1-(2-Chlorophenyl)-2-oxocyclohexyl]-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide | C22H27ClN4O2S

N-[1-(2-Chlorophenyl)-2-oxocyclohexyl]-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

  • Molecular FormulaC22H27ClN4O2S
  • Average mass446.993 Da
  • Monoisotopic mass446.154327 Da
  • ChemSpider ID21723159

More details:

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

Acetamide, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-methyl- [ACD/Index Name]
N-[1-(2-Chlorophenyl)-2-oxocyclohexyl]-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide [ACD/IUPAC Name]
N-[1-(2-Chlorophényl)-2-oxocyclohexyl]-2-[(5-cyclopropyl-4-éthyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-méthylacétamide [French] [ACD/IUPAC Name]
N-[1-(2-Chlorphenyl)-2-oxocyclohexyl]-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.3±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.50
ACD/KOC (pH 5.5): 1283.46
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.56
ACD/KOC (pH 7.4): 1284.00
Polar Surface Area: 93 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 325.5±7.0 cm3

Click to predict properties on the Chemicalize site


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