ethyl 4-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
ethyl 4-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V008-9397 |
| Compound Name: | ethyl 4-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-4-oxobutanoate |
| Molecular Weight: | 575.68 |
| Molecular Formula: | C28 H37 N3 O8 S |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.886 |
| logD: | 2.886 |
| logSw: | -3.5215 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.013 |
| InChI Key: | WDCGXPKXTNLWTD-UHFFFAOYSA-N |