3-(3,4-dimethylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
3-(3,4-dimethylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0667 |
| Compound Name: | 3-(3,4-dimethylphenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)N1CCN(CC1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2372 |
| logD: | 4.2284 |
| logSw: | -4.2131 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.925 |
| InChI Key: | HLLUJFCRGIHQPZ-UHFFFAOYSA-N |