2-(methylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-(methylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | Y021-6116 |
| Compound Name: | 2-(methylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C10 H12 N4 O S |
| Smiles: | CSc1nc2NC3CCCCC=3C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.907 |
| logD: | 1.369 |
| logSw: | -2.441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.56 |
| InChI Key: | YFOQVEXUEDQUIF-UHFFFAOYSA-N |