ChemSpider 2D Image | 2-{[4-Cyclohexyl-5-(1-naphthylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide | C28H27F3N4O2S

2-{[4-Cyclohexyl-5-(1-naphthylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

  • Molecular FormulaC28H27F3N4O2S
  • Average mass540.600 Da
  • Monoisotopic mass540.180664 Da
  • ChemSpider ID3506422

More details:

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

2-{[4-Cyclohexyl-5-(1-naphthylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluormethoxy)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Cyclohexyl-5-(1-naphthylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide [ACD/IUPAC Name]
2-{[4-Cyclohexyl-5-(1-naphtylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluorométhoxy)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37190.35
ACD/KOC (pH 5.5): 65025.28
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37193.82
ACD/KOC (pH 7.4): 65031.35
Polar Surface Area: 94 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 397.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement