[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-5-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-5-yl)methanone
Compound characteristics
| Compound ID: | S858-2377 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](pyrimidin-5-yl)methanone |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | C1CN(C[C@@]2(CN(Cc3ccccc3)C[C@H]12)CO)C(c1cncnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2093 |
| logD: | -3.4033 |
| logSw: | -0.8934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.379 |
| InChI Key: | JHMIQDGHWWHYFL-QUCCMNQESA-N |