2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0115 |
| Compound Name: | 2-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C26 H24 F N3 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3586 |
| logD: | 2.3586 |
| logSw: | -2.7006 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.332 |
| InChI Key: | DPPCDERPQRCHKO-UHFFFAOYSA-N |