ChemSpider 2D Image | 6-(4-Fluorobenzyl)-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazine-2-carbonitrile | C17H11FN4OS

6-(4-Fluorobenzyl)-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazine-2-carbonitrile

  • Molecular FormulaC17H11FN4OS
  • Average mass338.359 Da
  • Monoisotopic mass338.063751 Da
  • ChemSpider ID26399888

More details:

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

4H-Thieno[2',3':4,5]pyrrolo[2,3-d]pyridazine-2-carbonitrile, 6-[(4-fluorophenyl)methyl]-5,6-dihydro-4-methyl-5-oxo- [ACD/Index Name]
6-(4-Fluorbenzyl)-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-carbonitril [German] [ACD/IUPAC Name]
6-(4-Fluorobenzyl)-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazine-2-carbonitrile [ACD/IUPAC Name]
6-(4-Fluorobenzyl)-4-méthyl-5-oxo-5,6-dihydro-4H-thiéno[2',3':4,5]pyrrolo[2,3-d]pyridazine-2-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±32.9 °C
Index of Refraction: 1.735
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.89
ACD/KOC (pH 5.5): 1419.94
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.89
ACD/KOC (pH 7.4): 1419.94
Polar Surface Area: 90 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 229.1±7.0 cm3

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