2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | E589-3835 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | Cc1ccc(CNC(CN2C(COc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.7058 |
| logD: | 2.7058 |
| logSw: | -3.3355 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.845 |
| InChI Key: | SRUAUVHJEQQQKW-UHFFFAOYSA-N |