ethyl 4-{2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | J033-0119 |
| Compound Name: | ethyl 4-{2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc(c2ccccc2n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5948 |
| logD: | 3.5081 |
| logSw: | -3.6333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.839 |
| InChI Key: | ROGKXTQQYHQGMR-UHFFFAOYSA-N |