(1H-indol-2-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone
Chemical Structure Depiction of
(1H-indol-2-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone
(1H-indol-2-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone
Compound characteristics
| Compound ID: | S890-0031 |
| Compound Name: | (1H-indol-2-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone |
| Molecular Weight: | 298.38 |
| Molecular Formula: | C18 H22 N2 O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(c1cc2ccccc2[nH]1)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9215 |
| logD: | 2.9215 |
| logSw: | -3.4037 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.39 |
| InChI Key: | DGUVVEMYXZFZJM-KEYYUXOJSA-N |