3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0174 |
| Compound Name: | 3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 431.32 |
| Molecular Formula: | C22 H20 Cl2 N2 O3 |
| Smiles: | C1CN(CCN1CCOc1ccc(cc1)[Cl])C1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7555 |
| logD: | 4.7525 |
| logSw: | -4.9681 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.09 |
| InChI Key: | YMYVQAPWGDENCJ-UHFFFAOYSA-N |