ChemSpider 2D Image | (2S)-2-{[4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)-2-phenylacetamide | C22H17F2N5OS

(2S)-2-{[4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)-2-phenylacetamide

  • Molecular FormulaC22H17F2N5OS
  • Average mass437.465 Da
  • Monoisotopic mass437.112183 Da
  • ChemSpider ID62587645

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)-2-phenylacetamide [ACD/IUPAC Name]
(2S)-2-{[4-Amino-5-(4-fluorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophényl)-2-phénylacétamide [French] [ACD/IUPAC Name]
(2S)-2-{[4-Amino-5-(4-fluorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorphenyl)-2-phenylacetamid [German] [ACD/IUPAC Name]
Benzeneacetamide, α-[[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)-, (αS)- [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: 1.675
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 419.71
ACD/KOC (pH 5.5): 2624.86
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 419.70
ACD/KOC (pH 7.4): 2624.79
Polar Surface Area: 111 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

Click to predict properties on the Chemicalize site


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