ChemSpider 2D Image | (2Z)-N-{[(2R)-1-Ethyl-2-pyrrolidinyl]methyl}-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide | C23H24FN3O2S

(2Z)-N-{[(2R)-1-Ethyl-2-pyrrolidinyl]methyl}-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

  • Molecular FormulaC23H24FN3O2S
  • Average mass425.519 Da
  • Monoisotopic mass425.157318 Da
  • ChemSpider ID28639737
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2Z)-N-{[(2R)-1-Ethyl-2-pyrrolidinyl]methyl}-2-(2-fluorbenzyliden)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carboxamid [German] [ACD/IUPAC Name]
(2Z)-N-{[(2R)-1-Ethyl-2-pyrrolidinyl]methyl}-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [ACD/IUPAC Name]
(2Z)-N-{[(2R)-1-Éthyl-2-pyrrolidinyl]méthyl}-2-(2-fluorobenzylidène)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxamide, N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2-[(2-fluorophenyl)methylene]-3,4-dihydro-3-oxo-, (2Z)- [ACD/Index Name]
1392138-96-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.0±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.92
Polar Surface Area: 87 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 334.0±3.0 cm3

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