2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0063 |
| Compound Name: | 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C28 H30 N2 O3 |
| Smiles: | CC1C=CCC2C1C(N(C2=O)c1cccc(c1)C(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7212 |
| logD: | 3.7212 |
| logSw: | -4.2373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.449 |
| InChI Key: | TXZBGNQDFUBGGN-UHFFFAOYSA-N |