ChemSpider 2D Image | Ethyl 3-[2-(3,4-dimethoxybenzoyl)-1,1-dioxido-4H-1,4-benzothiazin-4-yl]benzoate | C26H23NO7S

Ethyl 3-[2-(3,4-dimethoxybenzoyl)-1,1-dioxido-4H-1,4-benzothiazin-4-yl]benzoate

  • Molecular FormulaC26H23NO7S
  • Average mass493.528 Da
  • Monoisotopic mass493.119507 Da
  • ChemSpider ID22974909

More details:

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

3-[2-(3,4-Diméthoxybenzoyl)-1,1-dioxydo-4H-1,4-benzothiazin-4-yl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-(3,4-dimethoxybenzoyl)-1,1-dioxido-4H-1,4-benzothiazin-4-yl]-, ethyl ester [ACD/Index Name]
Ethyl 3-[2-(3,4-dimethoxybenzoyl)-1,1-dioxido-4H-1,4-benzothiazin-4-yl]benzoate [ACD/IUPAC Name]
Ethyl-3-[2-(3,4-dimethoxybenzoyl)-1,1-dioxido-4H-1,4-benzothiazin-4-yl]benzoat [German] [ACD/IUPAC Name]
1114853-29-0 [RN]
3-[2-(3,4-Dimethoxy-benzoyl)-1,1-dioxo-1H-1λ*6*-benzo[1,4]thiazin-4-yl]-benzoic acid ethyl ester
ethyl 3-(2-(3,4-dimethoxybenzoyl)-1,1-dioxido-4H-benzo[b][1,4]thiazin-4-yl)benzoate
ethyl 3-[2-(3,4-dimethoxybenzoyl)-1,1-dioxo-4H-1λ6,4-benzothiazin-4-yl]benzoate
ethyl 3-{2-[(3,4-dimethoxyphenyl)carbonyl]-1,1-dioxido-4H-1,4-benzothiazin-4-yl}benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 407.50
ACD/KOC (pH 5.5): 2569.99
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 407.50
ACD/KOC (pH 7.4): 2569.99
Polar Surface Area: 108 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 368.8±3.0 cm3

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