ChemSpider 2D Image | (2E)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide | C25H20FN3O4S

(2E)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

  • Molecular FormulaC25H20FN3O4S
  • Average mass477.507 Da
  • Monoisotopic mass477.115845 Da
  • ChemSpider ID22828044

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide [ACD/IUPAC Name]
(2E)-3-(1,3-Benzodioxol-5-ylméthyl)-2-[(4-fluorophényl)imino]-4-oxo-N-phényl-1,3-thiazinane-6-carboxamide [French] [ACD/IUPAC Name]
(2E)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-fluorphenyl)imino]-4-oxo-N-phenyl-1,3-thiazinan-6-carboxamid [German] [ACD/IUPAC Name]
2H-1,3-Thiazine-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]tetrahydro-4-oxo-N-phenyl-, (2E)- [ACD/Index Name]
{3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-[(4-fluorophenyl)azamethylene]-4-oxo(1,3-thiazaperhydroin-6-yl)}-N-benzamide
3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)imino]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide [ACD/IUPAC Name]
3-Benzo[1,3]dioxol-5-ylmethyl-2-(4-fluoro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid phenylamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.88
ACD/KOC (pH 5.5): 1262.06
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.88
ACD/KOC (pH 7.4): 1262.06
Polar Surface Area: 106 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement