1-{4-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}butan-1-one
Chemical Structure Depiction of
1-{4-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}butan-1-one
1-{4-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}butan-1-one
Compound characteristics
| Compound ID: | 8011-9835 |
| Compound Name: | 1-{4-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}butan-1-one |
| Molecular Weight: | 438.88 |
| Molecular Formula: | C22 H22 Cl F3 N2 O2 |
| Smiles: | CCCC(c1ccc(c(c1)F)N1CCN(CC1)C(c1c(c(cc(C)c1[Cl])F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6445 |
| logD: | 5.6445 |
| logSw: | -6.2935 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.093 |
| InChI Key: | MASSBXDHDVHICF-UHFFFAOYSA-N |