ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate
ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-3635 |
| Compound Name: | ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C22 H18 N2 O4 S2 |
| Smiles: | CCOC(c1c(csc1NC(CSc1nc2ccccc2o1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1791 |
| logD: | 5.1682 |
| logSw: | -5.1417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.056 |
| InChI Key: | XTNVAQDHVNJXIN-UHFFFAOYSA-N |