ChemSpider 2D Image | (2Z)-2-Benzylidene-4-(3-methylbenzyl)-3-oxo-N-(2-thienylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide | C29H24N2O2S2

(2Z)-2-Benzylidene-4-(3-methylbenzyl)-3-oxo-N-(2-thienylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

  • Molecular FormulaC29H24N2O2S2
  • Average mass496.643 Da
  • Monoisotopic mass496.127930 Da
  • ChemSpider ID23024271

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Benzyliden-4-(3-methylbenzyl)-3-oxo-N-(2-thienylmethyl)-3,4-dihydro-2H-1,4-benzothiazin-6-carboxamid [German] [ACD/IUPAC Name]
(2Z)-2-Benzylidene-4-(3-methylbenzyl)-3-oxo-N-(2-thienylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [ACD/IUPAC Name]
(2Z)-2-Benzylidène-4-(3-méthylbenzyl)-3-oxo-N-(2-thiénylméthyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxamide, 3,4-dihydro-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-N-(2-thienylmethyl)-, (2Z)- [ACD/Index Name]
(2Z)-2-benzylidene-4-(3-methylbenzyl)-3-oxo-N-(thien-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °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): 5.32
ACD/BCF (pH 5.5): 6479.01
ACD/KOC (pH 5.5): 18615.27
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6479.01
ACD/KOC (pH 7.4): 18615.25
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

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