ChemSpider 2D Image | N-(4-Methyl-3-nitrophenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide | C18H14F3N3O4S

N-(4-Methyl-3-nitrophenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide

  • Molecular FormulaC18H14F3N3O4S
  • Average mass425.382 Da
  • Monoisotopic mass425.065704 Da
  • ChemSpider ID62373598

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1,4-Benzothiazine-2-acetamide, 3,4-dihydro-N-(4-methyl-3-nitrophenyl)-3-oxo-6-(trifluoromethyl)-, (2S)- [ACD/Index Name]
N-(4-Methyl-3-nitrophenyl)-2-[(2S)-3-oxo-6-(trifluormethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamid [German] [ACD/IUPAC Name]
N-(4-Methyl-3-nitrophenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide [ACD/IUPAC Name]
N-(4-Méthyl-3-nitrophényl)-2-[(2S)-3-oxo-6-(trifluorométhyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 685.09
ACD/KOC (pH 5.5): 3727.59
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 685.05
ACD/KOC (pH 7.4): 3727.41
Polar Surface Area: 129 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 288.4±3.0 cm3

Click to predict properties on the Chemicalize site


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