1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]butane-1,4-dione
Chemical Structure Depiction of
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]butane-1,4-dione
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
| Compound ID: | Y040-6537 |
| Compound Name: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(methanesulfonyl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C20 H29 N3 O6 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(CCC(N1CCN(CC1)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1764 |
| logD: | -0.1764 |
| logSw: | -1.3824 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.957 |
| InChI Key: | SCJRWOROCGATNR-UHFFFAOYSA-N |