ChemSpider 2D Image | (2Z)-2-Benzylidene-N-{3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide | C31H34N4O2S

(2Z)-2-Benzylidene-N-{3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID23019186

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Benzylidene-N-{3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [ACD/IUPAC Name]
(2Z)-2-Benzylidène-N-{3-[4-(2,5-diméthylphényl)-1-pipérazinyl]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [French] [ACD/IUPAC Name]
(2Z)-2-Benzyliden-N-{3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carboxamid [German] [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxamide, N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-3,4-dihydro-3-oxo-2-(phenylmethylene)-, (2Z)- [ACD/Index Name]
(2Z)-2-benzylidene-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-oxo-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: 762.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 156.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 51.72
ACD/KOC (pH 5.5): 173.34
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 1880.40
ACD/KOC (pH 7.4): 6301.63
Polar Surface Area: 90 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement