ethyl 4-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C700-1002 |
| Compound Name: | ethyl 4-{[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C23 H32 N4 O7 S |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5367 |
| logD: | 1.5367 |
| logSw: | -2.5905 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.283 |
| InChI Key: | USCISLXAEHNFNQ-UHFFFAOYSA-N |