ChemSpider 2D Image | 2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide | C24H24N6O2S3

2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

  • Molecular FormulaC24H24N6O2S3
  • Average mass524.681 Da
  • Monoisotopic mass524.112305 Da
  • ChemSpider ID2897913

More details:






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

2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamid [German] [ACD/IUPAC Name]
2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide [ACD/IUPAC Name]
2-[(4-Méthyl-5-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-oxo-2-(1-pyrrolidinyl)éthyl]sulfanyl}-1,3-benzothiazol-6-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6-benzothiazolyl]- [ACD/Index Name]
N-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

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

AN-988/15131272 [DBID]
MLS000545746 [DBID]
SMR000161094 [DBID]
ZINC08437073 [DBID]

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: 1.760
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.05
ACD/KOC (pH 5.5): 1604.71
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.04
ACD/KOC (pH 7.4): 1604.64
Polar Surface Area: 172 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

Click to predict properties on the Chemicalize site






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