2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8013-6988 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H15 N3 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(CSc1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1972 |
| logD: | 4.1733 |
| logSw: | -4.2502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.286 |
| InChI Key: | PYCVWNLIILZSMZ-UHFFFAOYSA-N |