ChemSpider 2D Image | N-{2-[5-({2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide | C24H25FN6O2S2

N-{2-[5-({2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide

  • Molecular FormulaC24H25FN6O2S2
  • Average mass512.623 Da
  • Monoisotopic mass512.146423 Da
  • ChemSpider ID3249181

More details:

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

Benzamide, N-[2-[5-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoethyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl]-2-fluoro- [ACD/Index Name]
N-{2-[5-({2-[(3-Cyan-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-{2-[5-({2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide [ACD/IUPAC Name]
N-{2-[5-({2-[(3-Cyano-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)amino]-2-oxoéthyl}sulfanyl)-4-éthyl-4H-1,2,4-triazol-3-yl]éthyl}-2-fluorobenzamide [French] [ACD/IUPAC 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: 1.702
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.08
ACD/KOC (pH 5.5): 2054.51
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.10
ACD/KOC (pH 7.4): 2054.70
Polar Surface Area: 166 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 356.4±7.0 cm3

Click to predict properties on the Chemicalize site


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