2-(ethylsulfanyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(ethylsulfanyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0144 |
| Compound Name: | 2-(ethylsulfanyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C17 H17 F N4 O S |
| Smiles: | CCSc1nc2NC3CCCC(C=3C(c3ccccc3F)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7229 |
| logD: | 3.6472 |
| logSw: | -3.981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | XKIPGYMJSGZRSG-HNNXBMFYSA-N |