2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethan-1-one
2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J033-0180 |
| Compound Name: | 2-[(4-hydroxyquinazolin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Smiles: | CC1CCCN(C1)C(CSc1nc(c2ccccc2n1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.623 |
| logD: | 2.5363 |
| logSw: | -2.7422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.261 |
| InChI Key: | BBTASTMGRPPMCO-NSHDSACASA-N |