3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | E589-0935 |
| Compound Name: | 3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C20 H22 N2 O4 S3 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(Nc1cccc(c1)SC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3086 |
| logD: | 3.3085 |
| logSw: | -3.6464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.03 |
| InChI Key: | JNTOMAYUMWWNMV-QGZVFWFLSA-N |