ChemSpider 2D Image | [4-(4-Isopropylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](phenyl)methanone | C24H21NO3S

[4-(4-Isopropylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](phenyl)methanone

  • Molecular FormulaC24H21NO3S
  • Average mass403.493 Da
  • Monoisotopic mass403.124207 Da
  • ChemSpider ID22974529

More details:

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

[4-(4-Isopropylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](phenyl)methanon [German] [ACD/IUPAC Name]
[4-(4-Isopropylphenyl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](phenyl)methanone [ACD/IUPAC Name]
[4-(4-Isopropylphényl)-1,1-dioxydo-4H-1,4-benzothiazin-2-yl](phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[4-(1-methylethyl)phenyl]-1,1-dioxido-4H-1,4-benzothiazin-2-yl]phenyl- [ACD/Index Name]
(4-(4-isopropylphenyl)-1,1-dioxido-4H-benzo[b][1,4]thiazin-2-yl)(phenyl)methanone
[4-(4-Isopropyl-phenyl)-1,1-dioxo-1,4-dihydro-1λ*6*-benzo[1,4]thiazin-2-yl]-phenyl-methanone
{1,1-dioxido-4-[4-(propan-2-yl)phenyl]-4H-1,4-benzothiazin-2-yl}(phenyl)methanone
1114652-09-3 [RN]
2-benzoyl-4-[4-(propan-2-yl)phenyl]-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: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1556.20
ACD/KOC (pH 5.5): 6706.22
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1556.20
ACD/KOC (pH 7.4): 6706.22
Polar Surface Area: 63 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

Click to predict properties on the Chemicalize site


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