ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E589-0913 |
| Compound Name: | ethyl 4-[3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C22 H24 N2 O6 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(Nc1ccc(cc1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.449 |
| logD: | 3.4481 |
| logSw: | -3.8452 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.784 |
| InChI Key: | OQATWDZQLRQQCP-GOSISDBHSA-N |