ChemSpider 2D Image | 2-{[({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-N-cyclopropylbenzamide | C24H24N6O2S3

2-{[({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-N-cyclopropylbenzamide

  • Molecular FormulaC24H24N6O2S3
  • Average mass524.681 Da
  • Monoisotopic mass524.112305 Da
  • ChemSpider ID11843924

More details:






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

2-{[({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-N-cyclopropylbenzamid [German] [ACD/IUPAC Name]
2-{[({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-N-cyclopropylbenzamide [ACD/IUPAC Name]
2-{[2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)méthyl]-4-éthyl-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]amino}-N-cyclopropylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[[2-[[5-[(2-benzothiazolylthio)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.771
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 833.02
ACD/KOC (pH 5.5): 4287.48
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 833.03
ACD/KOC (pH 7.4): 4287.55
Polar Surface Area: 181 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 347.5±7.0 cm3

Click to predict properties on the Chemicalize site






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