4-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-2612 |
| Compound Name: | 4-[2-(octahydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 477.64 |
| Molecular Formula: | C23 H31 N3 O4 S2 |
| Smiles: | C1CCC2C(C1)CCCN2C(CN1C(CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3724 |
| logD: | 2.3724 |
| logSw: | -2.7251 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.298 |
| InChI Key: | PFICWTUYOXOCCG-UHFFFAOYSA-N |