2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-{3-[benzyl(ethyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-{3-[benzyl(ethyl)amino]propyl}acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-{3-[benzyl(ethyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | C700-1221 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-{3-[benzyl(ethyl)amino]propyl}acetamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C28 H38 N4 O5 S |
| Smiles: | CCN(CCCNC(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8375 |
| logD: | 1.1905 |
| logSw: | -3.4108 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.11 |
| InChI Key: | CVRUCWRZVZBKBK-UHFFFAOYSA-N |