2-{3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
2-{3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | V029-6776 |
| Compound Name: | 2-{3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 667.16 |
| Molecular Formula: | C28 H31 Cl N4 O9 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5961 |
| logD: | 4.5961 |
| logSw: | -4.8349 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 122.254 |
| InChI Key: | FECWHPICRSRLCB-UHFFFAOYSA-N |