ChemSpider 2D Image | 2-(2,5-Difluorobenzyl)-4-(3-fluorophenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide | C19H12F3N3O3S

2-(2,5-Difluorobenzyl)-4-(3-fluorophenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide

  • Molecular FormulaC19H12F3N3O3S
  • Average mass419.377 Da
  • Monoisotopic mass419.055145 Da
  • ChemSpider ID29089756

More details:

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

1,1-Dioxyde de 2-(2,5-difluorobenzyl)-4-(3-fluorophényl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one [French] [ACD/IUPAC Name]
2-(2,5-Difluorbenzyl)-4-(3-fluorphenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-(2,5-Difluorobenzyl)-4-(3-fluorophenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide [ACD/IUPAC Name]
2H-Pyrido[2,3-e]-1,2,4-thiadiazin-3(4H)-one, 2-[(2,5-difluorophenyl)methyl]-4-(3-fluorophenyl)-, 1,1-dioxide [ACD/Index Name]
2-(2,5-difluorobenzyl)-4-(3-fluorophenyl)-1λ6-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 588.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.9±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.26
ACD/KOC (pH 5.5): 606.93
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.26
ACD/KOC (pH 7.4): 606.93
Polar Surface Area: 79 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 269.8±3.0 cm3

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