4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-2590 |
| Compound Name: | 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C21 H29 N3 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)C(CN1C(CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7112 |
| logD: | 2.7112 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.955 |
| InChI Key: | KOHLSZQPLVZZHW-UHFFFAOYSA-N |