2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C534-0724 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C22 H33 N3 O5 S2 |
| Smiles: | CCCSCCCNC(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3977 |
| logD: | 2.3977 |
| logSw: | -2.9056 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.695 |
| InChI Key: | WUSQUMDTEXIWSL-UHFFFAOYSA-N |