rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(6-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(6-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(6-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0156 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(6-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C22 H24 F N3 O2 |
| Smiles: | Cc1ccc(cn1)C(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0856 |
| logD: | 2.0853 |
| logSw: | -2.4487 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.128 |
| InChI Key: | CZLKGUPCKSZXFQ-QUCCMNQESA-N |