rel-(5aR,8aR)-1-benzyl-7-[(pyridin-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(pyridin-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(pyridin-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0206 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(pyridin-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C21 H25 N3 O |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(Cc3ccccn3)C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0405 |
| logD: | 1.9575 |
| logSw: | -2.0635 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8118 |
| InChI Key: | ULRWYOANBKXPPH-ICSRJNTNSA-N |