2-{5-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{5-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
2-{5-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8013-4796 |
| Compound Name: | 2-{5-[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C25 H25 Cl N4 O4 S |
| Smiles: | C1CN(Cc2ccccc12)c1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2667 |
| logD: | 5.2667 |
| logSw: | -5.9564 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.104 |
| InChI Key: | XYMTVYBIWPBURA-UHFFFAOYSA-N |