ChemSpider 2D Image | methyl 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate | C15H10F3N3O4S2

methyl 2-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate

  • Molecular FormulaC15H10F3N3O4S2
  • Average mass417.383 Da
  • Monoisotopic mass417.006470 Da
  • ChemSpider ID70222095

More details:

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

Density: 1.6±0.1 g/cm3
Boiling Point: 550.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.7±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 106 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

Click to predict properties on the Chemicalize site


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