1-[rel-(3aR,7aS)-2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0885 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | CC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)C(c1cc(c2ccccc2)n(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2555 |
| logD: | 2.2555 |
| logSw: | -3.0164 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.354 |
| InChI Key: | FCUAZYBMIITBSX-HYBUGGRVSA-N |