2-(benzylsulfanyl)-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0058 |
| Compound Name: | 2-(benzylsulfanyl)-9-[4-(diethylamino)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1529 |
| logD: | 4.8025 |
| logSw: | -4.9996 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.803 |
| InChI Key: | YXNAETYQXMWOCR-DEOSSOPVSA-N |