2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-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}-6,6-dimethyl-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}-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2846 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 483.01 |
| Molecular Formula: | C25 H24 Cl F N4 O S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCc1ccc(cc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5485 |
| logD: | 6.4095 |
| logSw: | -6.3338 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | VFHKWOWGIYLSJW-QFIPXVFZSA-N |