1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]-4-phenylbutan-1-one
1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S890-0045 |
| Compound Name: | 1-[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 301.43 |
| Molecular Formula: | C19 H27 N O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(CCCc1ccccc1)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1436 |
| logD: | 3.1436 |
| logSw: | -3.2823 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.5134 |
| InChI Key: | CQOQZBIUQUMOIQ-SQNIBIBYSA-N |