2-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0099 |
| Compound Name: | 2-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C28 H29 N3 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1cccc(c1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3037 |
| logD: | 3.3037 |
| logSw: | -3.6211 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.332 |
| InChI Key: | ABGKZMLRHLADIO-UHFFFAOYSA-N |