(2S)-1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate
Chemical Structure Depiction of
(2S)-1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate
(2S)-1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate
Compound characteristics
| Compound ID: | V006-4939 |
| Compound Name: | (2S)-1-{4-[5-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-1-oxopropan-2-yl acetate |
| Molecular Weight: | 561.65 |
| Molecular Formula: | C27 H35 N3 O8 S |
| Salt: | not_available |
| Smiles: | CC(=O)O[C@@H](C)C(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6658 |
| logD: | 2.6658 |
| logSw: | -3.0922 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.903 |
| InChI Key: | SENDUGJMHJKPOJ-SFHVURJKSA-N |