3-(4-methylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
3-(4-methylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0136 |
| Compound Name: | 3-(4-methylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C20 H19 N3 O2 |
| Smiles: | Cc1ccc(cc1)C1=C(C(C1=O)=O)N1CCN(CC1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6954 |
| logD: | 3.6865 |
| logSw: | -3.7278 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.925 |
| InChI Key: | HWBUINJMWOJLHG-UHFFFAOYSA-N |