2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0266 |
| Compound Name: | 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C(CN1C(C2C3CC(C=C3)C2C1=O)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2659 |
| logD: | 1.2658 |
| logSw: | -1.7834 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.967 |
| InChI Key: | XCLFUGJCXBAPLR-UHFFFAOYSA-N |