2-(butylsulfanyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(butylsulfanyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0133 |
| Compound Name: | 2-(butylsulfanyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C19 H21 F N4 O S |
| Smiles: | CCCCSc1nc2NC3CCCC(C=3C(c3ccc(cc3)F)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5828 |
| logD: | 4.4766 |
| logSw: | -4.4124 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | AVDPAPXNTNLKGU-KRWDZBQOSA-N |