2-{4-chloro-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-chloro-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-chloro-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0270 |
| Compound Name: | 2-{4-chloro-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C28 H30 Cl N3 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1cc(ccc1[Cl])N1C(C2C3CCC(C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0742 |
| logD: | 4.0742 |
| logSw: | -4.5243 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.332 |
| InChI Key: | KOYMMZAECQMOSD-UHFFFAOYSA-N |