ChemSpider 2D Image | 2-(1-{2-[(4-Fluorophenyl)amino]-6H-1,3,4-thiadiazin-5-yl}ethyl)-1H-isoindole-1,3(2H)-dione | C19H15FN4O2S

2-(1-{2-[(4-Fluorophenyl)amino]-6H-1,3,4-thiadiazin-5-yl}ethyl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC19H15FN4O2S
  • Average mass382.411 Da
  • Monoisotopic mass382.089966 Da
  • ChemSpider ID26000639

More details:

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

1298016-92-8 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[1-[2-[(4-fluorophenyl)amino]-6H-1,3,4-thiadiazin-5-yl]ethyl]- [ACD/Index Name]
2-(1-{2-[(4-Fluorophenyl)amino]-6H-1,3,4-thiadiazin-5-yl}ethyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(1-{2-[(4-Fluorophényl)amino]-6H-1,3,4-thiadiazin-5-yl}éthyl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(1-{2-[(4-Fluorphenyl)amino]-6H-1,3,4-thiadiazin-5-yl}ethyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[1-[2-(4-Fluoroanilino)-6H-1,3,4-thiadiazin-5-yl]ethyl]isoindoline-1,3-dione
2-[1-[2-[(4-Fluorophenyl)amino]-6H-1,3,4-thiadiazin-5-yl]ethyl]-1H-isoindole-1,3(2H)-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.8±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 20.60
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 47.81
ACD/KOC (pH 7.4): 378.64
Polar Surface Area: 99 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 260.3±7.0 cm3

Click to predict properties on the Chemicalize site


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