3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0108 |
| Compound Name: | 3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 366.85 |
| Molecular Formula: | C21 H19 Cl N2 O2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8802 |
| logD: | 3.8735 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.694 |
| InChI Key: | BLYVIXCRJUEOTJ-UHFFFAOYSA-N |