ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]piperidine-1-carboxylate
ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E589-0955 |
| Compound Name: | ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]piperidine-1-carboxylate |
| Molecular Weight: | 483.6 |
| Molecular Formula: | C21 H29 N3 O6 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(NC1CCN(CC1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9456 |
| logD: | 1.9456 |
| logSw: | -2.8422 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.858 |
| InChI Key: | PNCGEUDYBGYRGP-QGZVFWFLSA-N |