2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | E022-0953 |
| Compound Name: | 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H22 F N3 O2 S |
| Smiles: | CCC(C(N1CCN(CC1)c1ccc(cc1)F)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6592 |
| logD: | 3.6592 |
| logSw: | -3.8767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.293 |
| InChI Key: | GXQNWPMHCVBORU-SFHVURJKSA-N |