ChemSpider 2D Image | Methyl 4-hydroxy-2-(2-phenylethyl)-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide | C18H17NO5S

Methyl 4-hydroxy-2-(2-phenylethyl)-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

  • Molecular FormulaC18H17NO5S
  • Average mass359.396 Da
  • Monoisotopic mass359.082733 Da
  • ChemSpider ID30657234

More details:

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

1,1-Dioxyde de 4-hydroxy-2-(2-phényléthyl)-2H-1,2-benzothiazine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-(2-phenylethyl)-, methyl ester, 1,1-dioxide [ACD/Index Name]
Methyl 4-hydroxy-2-(2-phenylethyl)-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Methyl-4-hydroxy-2-(2-phenylethyl)-2H-1,2-benzothiazin-3-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 11.76
ACD/KOC (pH 5.5): 102.89
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 92 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 256.0±3.0 cm3

Click to predict properties on the Chemicalize site


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