2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate
Chemical Structure Depiction of
2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate
2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate
Compound characteristics
| Compound ID: | V014-0257 |
| Compound Name: | 2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxoethyl acetate |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C26 H33 N3 O8 S |
| Salt: | not_available |
| Smiles: | CC(=O)OCC(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1255 |
| logD: | 2.1255 |
| logSw: | -2.7901 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.085 |
| InChI Key: | LIBOLWRGXOITFV-UHFFFAOYSA-N |