2-{3-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C034-0604 |
| Compound Name: | 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C23 H26 Cl N3 O3 |
| Smiles: | C1CC2C=CC1C1C2C(N(CCC(N2CCN(CC2)c2cccc(c2)[Cl])=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2161 |
| logD: | 2.2161 |
| logSw: | -2.9781 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.235 |
| InChI Key: | VYHOQEYZXAMGLA-UHFFFAOYSA-N |