2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E589-3714 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C23 H26 Cl N3 O5 S |
| Smiles: | Cc1cc(ccc1NC(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9313 |
| logD: | 3.9309 |
| logSw: | -4.2877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.562 |
| InChI Key: | SVGJAZAUPJMFJD-UHFFFAOYSA-N |