4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-2542 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCc3ccccc3C1)=O)C(CS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7535 |
| logD: | 2.7535 |
| logSw: | -3.3889 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.75 |
| InChI Key: | UCEYFIIJNPJHOK-UHFFFAOYSA-N |