1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-[4-(4-fluorophenyl)piperazin-1-yl]butane-1,4-dione
Chemical Structure Depiction of
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-[4-(4-fluorophenyl)piperazin-1-yl]butane-1,4-dione
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-[4-(4-fluorophenyl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
| Compound ID: | D628-0105 |
| Compound Name: | 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-[4-(4-fluorophenyl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C25 H27 F N4 O2 S |
| Smiles: | C1CC(c2nc3ccccc3s2)N(C1)C(CCC(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.328 |
| logD: | 3.328 |
| logSw: | -3.5497 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.521 |
| InChI Key: | PTORRZURCSCDHN-NRFANRHFSA-N |