ChemSpider 2D Image | (2Z)-2-Benzylidene-4-(3-methylbenzyl)-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide | C30H32N2O2S2

(2Z)-2-Benzylidene-4-(3-methylbenzyl)-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID23024274

  • 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-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazin-6-carboxamid [German] [ACD/IUPAC Name]
(2Z)-2-Benzylidene-4-(3-methylbenzyl)-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [ACD/IUPAC Name]
(2Z)-2-Benzylidène-4-(3-méthylbenzyl)-3-oxo-N-[3-(propylsulfanyl)propyl]-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-[3-(propylthio)propyl]-, (2Z)- [ACD/Index Name]
(2Z)-2-benzylidene-4-(3-methylbenzyl)-3-oxo-N-[3-(propylthio)propyl]-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: 1.2±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: 1.655
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18694.31
ACD/KOC (pH 5.5): 39744.45
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18694.31
ACD/KOC (pH 7.4): 39744.45
Polar Surface Area: 100 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 422.5±3.0 cm3

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