2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0136 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-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)F)n3c(N2)nc(n3)SCc2cccc(c2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3045 |
| logD: | 5.2426 |
| logSw: | -6.0824 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | JSRJIODJVUDTAP-FQEVSTJZSA-N |