ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-ylmethyl)-N-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-2-ethyl-N-methylbutanamide | C23H25Cl2N3O2S

2-(1,3-Benzothiazol-2-ylmethyl)-N-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-2-ethyl-N-methylbutanamide

  • Molecular FormulaC23H25Cl2N3O2S
  • Average mass478.435 Da
  • Monoisotopic mass477.104462 Da
  • ChemSpider ID29978660

More details:

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

2-(1,3-Benzothiazol-2-ylmethyl)-N-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-2-ethyl-N-methylbutanamide [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-ylméthyl)-N-{2-[(2,6-dichlorophényl)amino]-2-oxoéthyl}-2-éthyl-N-méthylbutanamide [French] [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-ylmethyl)-N-{2-[(2,6-dichlorphenyl)amino]-2-oxoethyl}-2-ethyl-N-methylbutanamid [German] [ACD/IUPAC Name]
2-Benzothiazolepropanamide, N-[2-[(2,6-dichlorophenyl)amino]-2-oxoethyl]-α,α-diethyl-N-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 645.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.0±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3251.93
ACD/KOC (pH 5.5): 11365.25
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3251.54
ACD/KOC (pH 7.4): 11363.88
Polar Surface Area: 91 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

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