2-(benzylsulfanyl)-9-(3-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(3-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(3-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0050 |
| Compound Name: | 2-(benzylsulfanyl)-9-(3-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C22 H19 F N4 O S |
| Smiles: | C1CC2=C(C(c3cccc(c3)F)n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4285 |
| logD: | 4.3666 |
| logSw: | -4.4551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | JQGBPIJKLWSLES-FQEVSTJZSA-N |