3-[4-(3-chlorophenyl)piperazin-1-yl]-4-{[2-(3-fluorophenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[4-(3-chlorophenyl)piperazin-1-yl]-4-{[2-(3-fluorophenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
3-[4-(3-chlorophenyl)piperazin-1-yl]-4-{[2-(3-fluorophenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | IB05-7878 |
| Compound Name: | 3-[4-(3-chlorophenyl)piperazin-1-yl]-4-{[2-(3-fluorophenyl)ethyl]amino}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C22 H21 Cl F N3 O2 |
| Smiles: | C(CNC1=C(C(C1=O)=O)N1CCN(CC1)c1cccc(c1)[Cl])c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.65 |
| logD: | 3.64 |
| logSw: | -4.46 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.35 |
| InChI Key: | QNTYHZVOYHWZJH-UHFFFAOYSA-N |