2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(furan-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-[(furan-2-yl)methyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | E589-3739 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(NCc1ccco1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.399 |
| logD: | 2.399 |
| logSw: | -2.981 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.33 |
| InChI Key: | PUYRSIIGOOVBNZ-UHFFFAOYSA-N |