ChemSpider 2D Image | 4-{[4-(2,5-Dimethylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(4-ethoxyphenyl)ethyl]benzamide | C35H34N2O3S

4-{[4-(2,5-Dimethylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(4-ethoxyphenyl)ethyl]benzamide

  • Molecular FormulaC35H34N2O3S
  • Average mass562.721 Da
  • Monoisotopic mass562.229004 Da
  • ChemSpider ID35370968

More details:

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

4-{[4-(2,5-Dimethylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]methyl}-N-[2-(4-ethoxyphenyl)ethyl]benzamid [German] [ACD/IUPAC Name]
4-{[4-(2,5-Dimethylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(4-ethoxyphenyl)ethyl]benzamide [ACD/IUPAC Name]
4-{[4-(2,5-Diméthylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidène]méthyl}-N-[2-(4-éthoxyphényl)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[4-[(2,5-dimethylphenyl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-ethoxyphenyl)ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.0±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41684.46
ACD/KOC (pH 5.5): 70560.29
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41684.46
ACD/KOC (pH 7.4): 70560.29
Polar Surface Area: 84 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 460.0±3.0 cm3

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