rel-(3aR,7aR)-5-benzyl-2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-5-benzyl-2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0399 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)C(c1cc(C)n(CCCOC)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1482 |
| logD: | 2.1482 |
| logSw: | -3.0201 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.192 |
| InChI Key: | GEBXQFQOPJHKGU-FCHUYYIVSA-N |