1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0872 |
| Compound Name: | 1-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C22 H30 N2 O4 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(C1(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5508 |
| logD: | 1.5508 |
| logSw: | -1.8898 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.388 |
| InChI Key: | PKPPIRYRBROMHQ-GHTZIAJQSA-N |