ChemSpider 2D Image | N-{2-[(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide | C26H30N6O4S3

N-{2-[(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide

  • Molecular FormulaC26H30N6O4S3
  • Average mass586.749 Da
  • Monoisotopic mass586.149048 Da
  • ChemSpider ID68775399

More details:






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

Butanamide, N-[2-[[2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]thio]-6-benzothiazolyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
N-{2-[(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamid [German] [ACD/IUPAC Name]
N-{2-[(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide [ACD/IUPAC Name]
N-{2-[(2-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-2-oxoéthyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 158.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.88
ACD/KOC (pH 5.5): 1609.18
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.90
ACD/KOC (pH 7.4): 1609.33
Polar Surface Area: 199 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 418.3±7.0 cm3

Click to predict properties on the Chemicalize site






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