ChemSpider 2D Image | 2-{[4-Cyclohexyl-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide | C23H30F3N5O2S

2-{[4-Cyclohexyl-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide

  • Molecular FormulaC23H30F3N5O2S
  • Average mass497.577 Da
  • Monoisotopic mass497.207245 Da
  • ChemSpider ID22029742

More details:

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

2-{[4-Cyclohexyl-5-({[3-(trifluormethyl)phenyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamid [German] [ACD/IUPAC Name]
2-{[4-Cyclohexyl-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide [ACD/IUPAC Name]
2-{[4-Cyclohexyl-5-({[3-(trifluorométhyl)phényl]amino}méthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tétrahydro-2-furanylméthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-cyclohexyl-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[(tetrahydro-2-furanyl)methyl]- [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: 1.630
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 707.35
ACD/KOC (pH 5.5): 3813.62
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 707.55
ACD/KOC (pH 7.4): 3814.68
Polar Surface Area: 106 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 350.4±7.0 cm3

Click to predict properties on the Chemicalize site


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