1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}but-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}but-2-en-1-one
1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}but-2-en-1-one
Compound characteristics
| Compound ID: | V008-9363 |
| Compound Name: | 1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}but-2-en-1-one |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C26 H33 N3 O6 S |
| Salt: | not_available |
| Smiles: | C/C=C/C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4659 |
| logD: | 3.4659 |
| logSw: | -3.9294 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.854 |
| InChI Key: | PHWRDRVVAIZXMX-UHFFFAOYSA-N |