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

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

  • Molecular FormulaC28H37ClN4O2S
  • Average mass529.137 Da
  • Monoisotopic mass528.232544 Da
  • ChemSpider ID2844859

More details:

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

N-(1-{4-(5-Chlor-2-methylphenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)nonanamid [German] [ACD/IUPAC Name]
N-(1-{4-(5-Chloro-2-methylphenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)nonanamide [ACD/IUPAC Name]
N-(1-{4-(5-Chloro-2-méthylphényl)-5-[(3-méthoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}éthyl)nonanamide [French] [ACD/IUPAC Name]
Nonanamide, N-[1-[4-(5-chloro-2-methylphenyl)-5-[[(3-methoxyphenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]- [ACD/Index 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: 1.592
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 555224.56
ACD/KOC (pH 5.5): 450256.53
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 555233.75
ACD/KOC (pH 7.4): 450263.94
Polar Surface Area: 94 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 446.3±7.0 cm3

Click to predict properties on the Chemicalize site


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