ChemSpider 2D Image | N-Benzyl-2-({4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamide | C25H32ClN5OS

N-Benzyl-2-({4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC25H32ClN5OS
  • Average mass486.073 Da
  • Monoisotopic mass485.201599 Da
  • ChemSpider ID21728987

More details:

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

Acetamide, 2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl]thio]-N-(1,1-dimethylethyl)-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-({4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
N-Benzyl-2-({4-(4-chlorophényl)-5-[1-(diméthylamino)éthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
N-Benzyl-2-({4-(4-chlorphenyl)-5-[1-(dimethylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 275.10
ACD/KOC (pH 5.5): 910.01
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3373.57
ACD/KOC (pH 7.4): 11159.51
Polar Surface Area: 80 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 412.2±7.0 cm3

Click to predict properties on the Chemicalize site


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