2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C034-0626 |
| Compound Name: | 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | C1CC2C=CC1C1C2C(N(CCC(N2CCN(CC2)Cc2ccccc2)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3135 |
| logD: | 1.2806 |
| logSw: | -1.7854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.515 |
| InChI Key: | KZPDUHFLWIZCEN-UHFFFAOYSA-N |