1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1541 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(3,4-dimethylbenzoyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(c1ccc(C)c(C)c1)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2331 |
| logD: | 2.2331 |
| logSw: | -2.5421 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.228 |
| InChI Key: | VVMLHUOJAWIJBO-TZIWHRDSSA-N |