6-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0080 |
| Compound Name: | 6-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(CCC(N1CCN(CC1)c1ccccc1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3875 |
| logD: | 1.3873 |
| logSw: | -2.4526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.926 |
| InChI Key: | LAIQGTRZLSEJGF-UHFFFAOYSA-N |