2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxo-1-phenylethyl acetate
Chemical Structure Depiction of
2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxo-1-phenylethyl acetate
2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxo-1-phenylethyl acetate
Compound characteristics
| Compound ID: | V005-9074 |
| Compound Name: | 2-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-2-oxo-1-phenylethyl acetate |
| Molecular Weight: | 623.73 |
| Molecular Formula: | C32 H37 N3 O8 S |
| Salt: | not_available |
| Smiles: | CC(=O)OC(C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0326 |
| logD: | 4.0326 |
| logSw: | -4.1716 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.618 |
| InChI Key: | PYRLDHBCAYGBBF-WJOKGBTCSA-N |