1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
Chemical Structure Depiction of
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
Compound characteristics
Compound ID: | V012-2021 |
Compound Name: | 1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate |
Molecular Weight: | 575.68 |
Molecular Formula: | C28 H37 N3 O8 S |
Salt: | not_available |
Smiles: | CC(=O)OC(C)(C)C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9109 |
logD: | 2.9109 |
logSw: | -3.5842 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 94.333 |
InChI Key: | PRKUHZOCOGDSFS-UHFFFAOYSA-N |