2-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C034-0606 |
| Compound Name: | 2-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCN1C(C2C3CCC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7904 |
| logD: | 2.7904 |
| logSw: | -3.0851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.934 |
| InChI Key: | COMVZMZYMXAJJL-UHFFFAOYSA-N |