2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-7317 |
| Compound Name: | 2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C16 H16 N4 O S |
| Smiles: | CSc1nc2NC3CCCC(C=3C(c3ccccc3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1403 |
| logD: | 3.0341 |
| logSw: | -3.4696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.338 |
| InChI Key: | FGWNSAWYOJQWAA-AWEZNQCLSA-N |