2-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C034-0065 |
| Compound Name: | 2-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C23 H26 F N3 O3 |
| Smiles: | C(CC(N1CCN(CC1)c1ccc(cc1)F)=O)CN1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4227 |
| logD: | 1.4227 |
| logSw: | -1.9167 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.967 |
| InChI Key: | APGRBDOWDOVVDE-UHFFFAOYSA-N |