2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1421 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C23 H20 Cl F N4 O S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.943 |
| logD: | 5.8811 |
| logSw: | -6.1473 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | PZMMOCWILBDYNZ-NRFANRHFSA-N |