1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S997-1542 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C21 H30 N2 O4 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(Cc1cccc(c1)OC)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7428 |
| logD: | 1.7428 |
| logSw: | -1.9885 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.244 |
| InChI Key: | IPFXTDNEJPRKRP-WIYYLYMNSA-N |