9-(4-chlorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0068 |
| Compound Name: | 9-(4-chlorophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C22 H18 Cl F N4 O S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)nc(n3)SCc2ccccc2F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5013 |
| logD: | 5.4394 |
| logSw: | -6.2298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | XWQOACQKCFUJMI-FQEVSTJZSA-N |