ChemSpider 2D Image | 3-Benzoyl-1,1-dioxido-2-pentyl-2H-1,2-benzothiazin-4-yl 4-methylbenzoate | C28H27NO5S

3-Benzoyl-1,1-dioxido-2-pentyl-2H-1,2-benzothiazin-4-yl 4-methylbenzoate

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID24752224

More details:

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

3-Benzoyl-1,1-dioxido-2-pentyl-2H-1,2-benzothiazin-4-yl 4-methylbenzoate [ACD/IUPAC Name]
3-Benzoyl-1,1-dioxido-2-pentyl-2H-1,2-benzothiazin-4-yl-4-methylbenzoat [German] [ACD/IUPAC Name]
4-Méthylbenzoate de 3-benzoyl-1,1-dioxydo-2-pentyl-2H-1,2-benzothiazin-4-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, 3-benzoyl-1,1-dioxido-2-pentyl-2H-1,2-benzothiazin-4-yl ester [ACD/Index Name]
1,1-dioxo-2-pentyl-3-(phenylcarbonyl)benzo[e]1,2-thiazin-4-yl 4-methylbenzoate
4-Methyl-benzoic acid 3-benzoyl-1,1-dioxo-2-pentyl-1,2-dihydro-1λ*6*-benzo[e][1,2]thiazin-4-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.0±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113638.58
ACD/KOC (pH 5.5): 144651.72
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113638.58
ACD/KOC (pH 7.4): 144651.72
Polar Surface Area: 89 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

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