2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | IB01-4653 |
| Compound Name: | 2-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CCN2C(c3cccc4cccc(C2=O)c34)=O)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.45 |
| logD: | 3.45 |
| logSw: | -4.24 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 121.27 |
| InChI Key: | ZDSYCQWYHSIULC-UHFFFAOYSA-N |