2-{3-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{3-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
2-{3-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | V005-9045 |
| Compound Name: | 2-{3-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-methoxybenzene-1-sulfonyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 580.1 |
| Molecular Formula: | C26 H27 Cl F N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN(CC1)S(c1ccc(c(c1)[Cl])F)(=O)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0711 |
| logD: | 5.0711 |
| logSw: | -5.4351 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.912 |
| InChI Key: | PSZNCPQHTUDHKC-UHFFFAOYSA-N |