2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(3-methylbutyl)acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | E589-3780 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C21 H31 N3 O5 S |
| Smiles: | CC(C)CCNC(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.516 |
| logD: | 2.516 |
| logSw: | -2.9839 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.695 |
| InChI Key: | GBZAGTSTOGSVLH-UHFFFAOYSA-N |