2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E589-3802 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C24 H29 N3 O6 S |
| Smiles: | COc1cccc(CNC(CN2C(COc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7456 |
| logD: | 2.7456 |
| logSw: | -3.4629 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.126 |
| InChI Key: | UVSQDCPEYYLOAR-UHFFFAOYSA-N |