ChemSpider 2D Image | N-(2-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanimidic acid | C29H32N2OS2

N-(2-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanimidic acid

  • Molecular FormulaC29H32N2OS2
  • Average mass488.707 Da
  • Monoisotopic mass488.195618 Da
  • ChemSpider ID57301637

More details:

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

Acide N-(2-{[2,6-diméthyl-4-(2-méthyl-2-propanyl)benzyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phénylpropanimidique [French] [ACD/IUPAC Name]
Benzenepropanimidic acid, N-[2-[[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]thio]-6-benzothiazolyl]- [ACD/Index Name]
N-(2-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanimidic acid [ACD/IUPAC Name]
N-(2-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanimidsäure [German] [ACD/IUPAC Name]
N-[2-[(4-TERT-BUTYL-2,6-DIMETHYLPHENYL)METHYLSULFANYL]-1,3-BENZOTHIAZOL-6-YL]-3-PHENYLPROPANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.12
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 258005.92
ACD/KOC (pH 5.5): 217405.36
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 191853.81
ACD/KOC (pH 7.4): 161663.14
Polar Surface Area: 99 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 421.6±7.0 cm3

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