ChemSpider 2D Image | N-(1-{4-(5-Chloro-2-methylphenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-3,5,5-trimethylhexanamide | C28H37ClN4O2S

N-(1-{4-(5-Chloro-2-methylphenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-3,5,5-trimethylhexanamide

  • Molecular FormulaC28H37ClN4O2S
  • Average mass529.137 Da
  • Monoisotopic mass528.232544 Da
  • ChemSpider ID3157553

More details:

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

Hexanamide, N-[1-[4-(5-chloro-2-methylphenyl)-5-[[(3-methoxyphenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]-3,5,5-trimethyl- [ACD/Index Name]
N-(1-{4-(5-Chlor-2-methylphenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-3,5,5-trimethylhexanamid [German] [ACD/IUPAC Name]
N-(1-{4-(5-Chloro-2-methylphenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-3,5,5-trimethylhexanamide [ACD/IUPAC Name]
N-(1-{4-(5-Chloro-2-méthylphényl)-5-[(3-méthoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}éthyl)-3,5,5-triméthylhexanamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.00
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 141274.88
ACD/KOC (pH 5.5): 169040.81
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 141277.20
ACD/KOC (pH 7.4): 169043.59
Polar Surface Area: 94 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 449.0±7.0 cm3

Click to predict properties on the Chemicalize site


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