rel-(3aR,4R,7aS)-N-(3-chlorophenyl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,4R,7aS)-N-(3-chlorophenyl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide
rel-(3aR,4R,7aS)-N-(3-chlorophenyl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide
Compound characteristics
| Compound ID: | S890-0023 |
| Compound Name: | rel-(3aR,4R,7aS)-N-(3-chlorophenyl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide |
| Molecular Weight: | 308.81 |
| Molecular Formula: | C16 H21 Cl N2 O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(Nc1cccc(c1)[Cl])=O)OC |
| Stereo: | RELATIVE |
| logP: | 3.0872 |
| logD: | 3.0872 |
| logSw: | -3.5246 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.862 |
| InChI Key: | CZQDEUITQLPVCI-UGFHNGPFSA-N |