2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | E589-3784 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[2-(4-methylphenyl)ethyl]acetamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | Cc1ccc(CCNC(CN2C(COc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8464 |
| logD: | 2.8464 |
| logSw: | -3.4747 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.423 |
| InChI Key: | MVKKHBOJQSSRSU-UHFFFAOYSA-N |