2-{4-methoxy-3-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{4-methoxy-3-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
2-{4-methoxy-3-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | V015-1614 |
| Compound Name: | 2-{4-methoxy-3-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl]benzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 569.74 |
| Molecular Formula: | C29 H35 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8489 |
| logD: | 5.8489 |
| logSw: | -5.5615 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.912 |
| InChI Key: | RSAWTKXSCMAFLT-UHFFFAOYSA-N |