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Search term: OPFPORCTFWJZLQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {[6-Ethyl-3-(4-fluorophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile | C17H14FN3OS2

{[6-Ethyl-3-(4-fluorophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile

  • Molecular FormulaC17H14FN3OS2
  • Average mass359.441 Da
  • Monoisotopic mass359.056244 Da
  • ChemSpider ID23305782

More details:

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

{[6-Ethyl-3-(4-fluorophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile [ACD/IUPAC Name]
{[6-Éthyl-3-(4-fluorophényl)-5-méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétonitrile [French] [ACD/IUPAC Name]
{[6-Ethyl-3-(4-fluorphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitril [German] [ACD/IUPAC Name]
Acetonitrile, 2-[[6-ethyl-3-(4-fluorophenyl)-3,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
2-(6-ethyl-3-(4-fluorophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-ylthio)acetonitrile
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398120/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.2±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.19
ACD/KOC (pH 5.5): 2000.61
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.19
ACD/KOC (pH 7.4): 2000.61
Polar Surface Area: 110 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 260.5±7.0 cm3

Click to predict properties on the Chemicalize site


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