9-[4-(dimethylamino)phenyl]-2-(methylsulfanyl)-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-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(dimethylamino)phenyl]-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1202 |
| Compound Name: | 9-[4-(dimethylamino)phenyl]-2-(methylsulfanyl)-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: | CN(C)c1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.226 |
| logD: | 3.1055 |
| logSw: | -3.6883 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.143 |
| InChI Key: | VQQIHKMJLORKDS-INIZCTEOSA-N |