2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K906-3026 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(=O)Oc2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7871 |
| logD: | 3.7871 |
| logSw: | -3.9957 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.258 |
| InChI Key: | VFXRXDGWSPOMAG-UHFFFAOYSA-N |