6,7-dimethoxy-2-{4-methoxy-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
6,7-dimethoxy-2-{4-methoxy-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
6,7-dimethoxy-2-{4-methoxy-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | V010-9227 |
| Compound Name: | 6,7-dimethoxy-2-{4-methoxy-3-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 632.71 |
| Molecular Formula: | C28 H32 N4 O9 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0191 |
| logD: | 4.0191 |
| logSw: | -4.1989 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 122.554 |
| InChI Key: | CSNRYDXGXAXZAF-UHFFFAOYSA-N |