2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0112 |
| Compound Name: | 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(CC(N2CCN(CC2)Cc2ccccc2)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6897 |
| logD: | 0.6743 |
| logSw: | -1.2877 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.269 |
| InChI Key: | BUUOCVUUFNCAHL-UHFFFAOYSA-N |