dimethyl 5-{2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K783-6887 |
| Compound Name: | dimethyl 5-{2-[6-(4-methylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 559.59 |
| Molecular Formula: | C26 H29 N3 O9 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5376 |
| logD: | 3.5375 |
| logSw: | -3.9046 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.276 |
| InChI Key: | SCIDZEHNBSBNEI-UHFFFAOYSA-N |