ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E589-0873 |
| Compound Name: | ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C20 H27 N3 O6 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(N1CCN(CC1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5685 |
| logD: | 1.5685 |
| logSw: | -2.5379 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.053 |
| InChI Key: | XDADPJXOQBLOQG-MRXNPFEDSA-N |