N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | E589-2575 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 477.62 |
| Molecular Formula: | C21 H23 N3 O4 S3 |
| Smiles: | CSc1cccc(c1)NC(CN1C(CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3285 |
| logD: | 3.3285 |
| logSw: | -3.8567 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.845 |
| InChI Key: | DGZWTFHJSZGKEQ-UHFFFAOYSA-N |