1-[rel-(3aR,7aR)-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0068 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | CC(N1C[C@H]2CCN(C[C@]2(C1)CO)C(c1cc(c2ccccc2)n(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6834 |
| logD: | 1.6834 |
| logSw: | -2.5314 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.045 |
| InChI Key: | ZXKDHEVAEKFDCP-AUSIDOKSSA-N |