ChemSpider 2D Image | 4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(2-thienylmethyl)benzamide | C29H24N2O2S2

4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(2-thienylmethyl)benzamide

  • Molecular FormulaC29H24N2O2S2
  • Average mass496.643 Da
  • Monoisotopic mass496.127930 Da
  • ChemSpider ID23019115

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]methyl}-N-(2-thienylmethyl)benzamid [German] [ACD/IUPAC Name]
4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(2-thienylmethyl)benzamide [ACD/IUPAC Name]
4-{(E)-[4-(3-Méthylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidène]méthyl}-N-(2-thiénylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(E)-[3,4-dihydro-4-[(3-methylphenyl)methyl]-3-oxo-2H-1,4-benzothiazin-2-ylidene]methyl]-N-(2-thienylmethyl)- [ACD/Index Name]
4-{(E)-[4-(3-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(thien-2-ylmethyl)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6356.63
ACD/KOC (pH 5.5): 18362.90
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6356.62
ACD/KOC (pH 7.4): 18362.88
Polar Surface Area: 103 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

Click to predict properties on the Chemicalize site


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