9-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1221 |
| Compound Name: | 9-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C19 H23 N5 O S |
| Smiles: | CCSc1nc2NC3CCCC(C=3C(c3ccc(cc3)N(C)C)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6263 |
| logD: | 3.5057 |
| logSw: | -3.9068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.143 |
| InChI Key: | IZOPJPQAGIRSHH-KRWDZBQOSA-N |