(1H-benzimidazol-5-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone
Chemical Structure Depiction of
(1H-benzimidazol-5-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone
(1H-benzimidazol-5-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone
Compound characteristics
| Compound ID: | S890-0063 |
| Compound Name: | (1H-benzimidazol-5-yl)[rel-(3aR,4R,7aS)-4-methoxyoctahydro-2H-isoindol-2-yl]methanone |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C17 H21 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(c1ccc2c(c1)nc[nH]2)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.104 |
| logD: | 1.0962 |
| logSw: | -2.0405 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.571 |
| InChI Key: | UPOSITUHBFTQJT-ZENOOKHLSA-N |