ChemSpider 2D Image | 2-(1,3-Benzothiazol-2-yl)-4-{[4-(2-methyl-2-propanyl)benzoyl]amino}phenyl 4-(2-methyl-2-propanyl)benzoate | C35H34N2O3S

2-(1,3-Benzothiazol-2-yl)-4-{[4-(2-methyl-2-propanyl)benzoyl]amino}phenyl 4-(2-methyl-2-propanyl)benzoate

  • Molecular FormulaC35H34N2O3S
  • Average mass562.721 Da
  • Monoisotopic mass562.229004 Da
  • ChemSpider ID3403467

More details:

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

2-(1,3-Benzothiazol-2-yl)-4-{[4-(2-methyl-2-propanyl)benzoyl]amino}phenyl 4-(2-methyl-2-propanyl)benzoate [ACD/IUPAC Name]
2-(1,3-Benzothiazol-2-yl)-4-{[4-(2-methyl-2-propanyl)benzoyl]amino}phenyl-4-(2-methyl-2-propanyl)benzoat [German] [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)benzoate de 2-(1,3-benzothiazol-2-yl)-4-{[4-(2-méthyl-2-propanyl)benzoyl]amino}phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1,1-dimethylethyl)-, 2-(2-benzothiazolyl)-4-[[4-(1,1-dimethylethyl)benzoyl]amino]phenyl ester [ACD/Index Name]
2-benzothiazol-2-yl-4-{[4-(tert-butyl)phenyl]carbonylamino}phenyl 4-(tert-butyl)benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.61
ACD/LogD (pH 5.5): 8.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 802494.06
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 802489.69
Polar Surface Area: 97 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 467.2±3.0 cm3

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