3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | C906-0164 |
| Compound Name: | 3-[({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}methyl)amino]-4-(pyrrolidin-1-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C26 H27 F N4 O3 |
| Smiles: | C1CCN(C1)C1=C(C(C1=O)=O)NCc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7021 |
| logD: | 2.6967 |
| logSw: | -3.135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.832 |
| InChI Key: | IJAXYFKWKJOYLC-UHFFFAOYSA-N |