2-(ethylsulfanyl)-6,6-dimethyl-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(ethylsulfanyl)-6,6-dimethyl-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(ethylsulfanyl)-6,6-dimethyl-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1277 |
| Compound Name: | 2-(ethylsulfanyl)-6,6-dimethyl-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | CCSc1nc2NC3CC(C)(C)CC(C=3C(c3cccnc3)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.978 |
| logD: | 2.788 |
| logSw: | -3.0054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | MORHTADERZHHLW-HNNXBMFYSA-N |