1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methylbut-2-en-1-one
Chemical Structure Depiction of
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methylbut-2-en-1-one
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V006-0969 |
| Compound Name: | 1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methylbut-2-en-1-one |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C27 H35 N3 O6 S |
| Salt: | not_available |
| Smiles: | C\C=C(/C)C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6917 |
| logD: | 3.6917 |
| logSw: | -4.0796 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.382 |
| InChI Key: | FLKRWOVGXZFWKG-UHFFFAOYSA-N |