ChemSpider 2D Image | N-(3,5-Dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide | C23H22FN5O4S

N-(3,5-Dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

  • Molecular FormulaC23H22FN5O4S
  • Average mass483.515 Da
  • Monoisotopic mass483.137665 Da
  • ChemSpider ID28386458

More details:

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

Butanamide, N-(3,5-dimethoxyphenyl)-2-[[7-(4-fluorophenyl)-7,8-dihydro-8-oxo-1,2,4-triazolo[4,3-a]pyrazin-3-yl]thio]- [ACD/Index Name]
N-(3,5-Dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide [ACD/IUPAC Name]
N-(3,5-Diméthoxyphényl)-2-{[7-(4-fluorophényl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide [French] [ACD/IUPAC Name]
N-(3,5-Dimethoxyphenyl)-2-{[7-(4-fluorphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamid [German] [ACD/IUPAC Name]
1223896-13-6 [RN]
N-(3,5-dimethoxyphenyl)-2-((7-(4-fluorophenyl)-8-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thio)butanamide
N-(3,5-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]thio}butanamide
N-(3,5-dimethoxyphenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide

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: 1.654
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.79
ACD/KOC (pH 5.5): 891.13
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.79
ACD/KOC (pH 7.4): 891.11
Polar Surface Area: 124 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 346.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement