2-{4-chloro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-chloro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-chloro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0282 |
| Compound Name: | 2-{4-chloro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C27 H28 Cl N3 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1cc(ccc1[Cl])N1C(C2C3CCC(C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0545 |
| logD: | 3.0545 |
| logSw: | -3.5735 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.177 |
| InChI Key: | WXTQJHUWKPZDCT-UHFFFAOYSA-N |