ChemSpider 2D Image | N-{3-[Ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide | C26H34N4O4S2

N-{3-[Ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide

  • Molecular FormulaC26H34N4O4S2
  • Average mass530.703 Da
  • Monoisotopic mass530.202148 Da
  • ChemSpider ID20458841

More details:

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

4H-1,4-Benzothiazine-4-acetamide, N-[3-[ethyl(3-methylphenyl)amino]propyl]-2,3-dihydro-3-oxo-6-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
N-{3-[Ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamid [German] [ACD/IUPAC Name]
N-{3-[Ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide [ACD/IUPAC Name]
N-{3-[Éthyl(3-méthylphényl)amino]propyl}-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acétamide [French] [ACD/IUPAC Name]
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[3-oxo-6-(pyrrolidin-1-ylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 61.51
ACD/KOC (pH 5.5): 409.47
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.68
ACD/KOC (pH 7.4): 2121.51
Polar Surface Area: 124 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 409.1±3.0 cm3

Click to predict properties on the Chemicalize site


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