1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1701 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-({2-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C21 H32 N2 O3 |
| Smiles: | CC(C)Oc1ccccc1CN1CC[C@]2(CN(C[C@H]2C1)C(C)=O)COC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5034 |
| logD: | -0.6234 |
| logSw: | -2.323 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.567 |
| InChI Key: | VESCXXGDJNHWKJ-TZIWHRDSSA-N |