[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
Compound characteristics
| Compound ID: | S858-1413 |
| Compound Name: | [rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone |
| Molecular Weight: | 348.87 |
| Molecular Formula: | C19 H25 Cl N2 O2 |
| Smiles: | C1CC1C(N1C[C@@H]2CCN(Cc3ccc(cc3)[Cl])C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3498 |
| logD: | 1.0528 |
| logSw: | -2.6666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.152 |
| InChI Key: | JJCKSEFZMYVYFQ-VQIMIIECSA-N |