ChemSpider 2D Image | [4-(4-Butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-ethoxyphenyl)methanone | C27H27NO4S

[4-(4-Butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-ethoxyphenyl)methanone

  • Molecular FormulaC27H27NO4S
  • Average mass461.573 Da
  • Monoisotopic mass461.166077 Da
  • ChemSpider ID22974719

More details:

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

[4-(4-Butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-ethoxyphenyl)methanon [German] [ACD/IUPAC Name]
[4-(4-Butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-ethoxyphenyl)methanone [ACD/IUPAC Name]
[4-(4-Butylphényl)-1,1-dioxydo-4H-1,4-benzothiazin-2-yl](4-éthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4-butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-ethoxyphenyl)- [ACD/Index Name]
(4-(4-butylphenyl)-1,1-dioxido-4H-benzo[b][1,4]thiazin-2-yl)(4-ethoxyphenyl)methanone
[4-(4-Butyl-phenyl)-1,1-dioxo-1,4-dihydro-1λ*6*-benzo[1,4]thiazin-2-yl]-(4-ethoxy-phenyl)-methanone
[4-(4-butylphenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-(4-ethoxyphenyl)methanone
1114872-04-6 [RN]
4-(4-butylphenyl)-2-(4-ethoxybenzoyl)-4H-1λ6,4-benzothiazine-1,1-dione
MFCD14953430

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5922.44
ACD/KOC (pH 5.5): 17456.14
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5922.44
ACD/KOC (pH 7.4): 17456.14
Polar Surface Area: 72 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 372.7±3.0 cm3

Click to predict properties on the Chemicalize site


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