1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide
1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E966-1574 |
| Compound Name: | 1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C22 H25 N3 O4 S3 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(N1CCC(CC1)C(Nc1cccc(c1)SC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3411 |
| logD: | 3.341 |
| logSw: | -3.6317 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.918 |
| InChI Key: | WCNQALNXMZAJPF-CQSZACIVSA-N |