ChemSpider 2D Image | (3Z)-1-Benzyl-3-{[(2,6-difluorophenyl)amino]methylene}-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide | C22H16F2N2O3S

(3Z)-1-Benzyl-3-{[(2,6-difluorophenyl)amino]methylene}-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide

  • Molecular FormulaC22H16F2N2O3S
  • Average mass426.436 Da
  • Monoisotopic mass426.084961 Da
  • ChemSpider ID22947572

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z) 2,2-Dioxyde de 1-benzyl-3-{[(2,6-difluorophényl)amino]méthylène}-1H-2,1-benzothiazin-4(3H)-one [French] [ACD/IUPAC Name]
(3Z)-1-Benzyl-3-{[(2,6-difluorophenyl)amino]methylene}-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide [ACD/IUPAC Name]
(3Z)-1-Benzyl-3-{[(2,6-difluorphenyl)amino]methylen}-1H-2,1-benzothiazin-4(3H)-on-2,2-dioxid [German] [ACD/IUPAC Name]
1H-2,1-Benzothiazin-4(3H)-one, 3-[[(2,6-difluorophenyl)amino]methylene]-1-(phenylmethyl)-, 2,2-dioxide, (3Z)- [ACD/Index Name]
(3Z)-1-benzyl-3-[(2,6-difluoroanilino)methylidene]-2,2-dioxo-2λ6,1-benzothiazin-4-one
(3Z)-1-benzyl-3-{[(2,6-difluorophenyl)amino]methylidene}-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2,4-trione
(Z)-1-benzyl-3-(((2,6-difluorophenyl)amino)methylene)-1H-benzo[c][1,2]thiazin-4(3H)-one 2,2-dioxide
892293-63-9 [RN]
MFCD14726792

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

Density: 1.5±0.1 g/cm3
Boiling Point: 556.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 559.16
ACD/KOC (pH 5.5): 3223.20
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 559.16
ACD/KOC (pH 7.4): 3223.20
Polar Surface Area: 75 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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