ChemSpider 2D Image | 2-[(6-Benzyl-9-chloro-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide | C28H25ClN4O3S2

2-[(6-Benzyl-9-chloro-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

  • Molecular FormulaC28H25ClN4O3S2
  • Average mass565.106 Da
  • Monoisotopic mass564.105652 Da
  • ChemSpider ID13154039

More details:

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

2-[(6-Benzyl-9-chlor-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(6-Benzyl-9-chloro-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(6-Benzyl-9-chloro-5,5-dioxydo-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-éthyl-N-(3-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[9-chloro-5,5-dioxido-6-(phenylmethyl)-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]thio]-N-ethyl-N-(3-methylphenyl)- [ACD/Index Name]
2-[(6-benzyl-9-chloro-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)thio]-N-ethyl-N-(3-methylphenyl)acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 789.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.3±35.7 °C
Index of Refraction: 1.719
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9103.05
ACD/KOC (pH 5.5): 23745.13
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9103.14
ACD/KOC (pH 7.4): 23745.37
Polar Surface Area: 117 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 384.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement