3-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0977 |
| Compound Name: | 3-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C25 H28 F N3 O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)NCCN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.2377 |
| logD: | 4.2018 |
| logSw: | -4.0531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44 |
| InChI Key: | AUVCSLCMIPDSJZ-UHFFFAOYSA-N |