2-{3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0424 |
| Compound Name: | 2-{3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(CCN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0352 |
| logD: | 2.0342 |
| logSw: | -2.3142 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.186 |
| InChI Key: | SMDHCOWHOSBAQS-UHFFFAOYSA-N |