6,7-dimethoxy-2-(4-methoxy-3-{4-[4-(propan-2-yl)benzene-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-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}benzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
6,7-dimethoxy-2-(4-methoxy-3-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}benzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | V006-5026 |
| Compound Name: | 6,7-dimethoxy-2-(4-methoxy-3-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}benzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 629.8 |
| Molecular Formula: | C31 H39 N3 O7 S2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4969 |
| logD: | 5.4969 |
| logSw: | -5.5287 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.173 |
| InChI Key: | FMQBRGKSEOEVSQ-UHFFFAOYSA-N |