1-[rel-(3aR,7aR)-5-(4-chloro-2-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(4-chloro-2-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(4-chloro-2-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1664 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(4-chloro-2-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 380.87 |
| Molecular Formula: | C19 H25 Cl N2 O4 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1ccc(cc1OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9656 |
| logD: | 1.9656 |
| logSw: | -3.0203 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.223 |
| InChI Key: | KEQGJQPPIIMLBB-IFXJQAMLSA-N |