ChemSpider 2D Image | N-[(2-Ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-beta-alanine | C13H16N2O5S2

N-[(2-Ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-β-alanine

  • Molecular FormulaC13H16N2O5S2
  • Average mass344.406 Da
  • Monoisotopic mass344.050049 Da
  • ChemSpider ID27450963

More details:

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

N-[(2-Ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(2-Ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-[(2-Éthyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(2-ethyl-3,4-dihydro-3-oxo-2H-1,4-benzothiazin-6-yl)sulfonyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 244.1±3.0 cm3

Click to predict properties on the Chemicalize site


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