ChemSpider 2D Image | [4-(4-Butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-chlorophenyl)methanone | C25H22ClNO3S

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

  • Molecular FormulaC25H22ClNO3S
  • Average mass451.965 Da
  • Monoisotopic mass451.100891 Da
  • ChemSpider ID22974648

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-chlorophenyl)methanone [ACD/IUPAC Name]
[4-(4-Butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
[4-(4-Butylphényl)-1,1-dioxydo-4H-1,4-benzothiazin-2-yl](4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4-butylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](4-chlorophenyl)- [ACD/Index Name]
(4-(4-butylphenyl)-1,1-dioxido-4H-benzo[b][1,4]thiazin-2-yl)(4-chlorophenyl)methanone
1114660-02-4 [RN]
4-(4-butylphenyl)-2-(4-chlorobenzoyl)-4H-1λ6,4-benzothiazine-1,1-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14149.67
ACD/KOC (pH 5.5): 32560.57
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14149.67
ACD/KOC (pH 7.4): 32560.57
Polar Surface Area: 63 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 344.2±3.0 cm3

Click to predict properties on the Chemicalize site


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