2-(methylsulfanyl)-9-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-9-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(methylsulfanyl)-9-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1201 |
| Compound Name: | 2-(methylsulfanyl)-9-[4-(propan-2-yl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C19 H22 N4 O S |
| Smiles: | CC(C)c1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4742 |
| logD: | 4.368 |
| logSw: | -4.29 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | YZJTUCUXIYVORN-KRWDZBQOSA-N |