6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-3793 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C23 H34 N4 O5 S |
| Smiles: | CCCN1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6292 |
| logD: | 1.4467 |
| logSw: | -2.6287 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.293 |
| InChI Key: | CXXUINBUGCUYHF-UHFFFAOYSA-N |