rel-(5aR,8aR)-7-(5-fluoropyridine-2-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(5-fluoropyridine-2-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(5-fluoropyridine-2-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0347 |
| Compound Name: | rel-(5aR,8aR)-7-(5-fluoropyridine-2-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C22 H24 F N3 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2ccc(cn2)F)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7003 |
| logD: | 2.7003 |
| logSw: | -2.6417 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.322 |
| InChI Key: | INRKRWKZNPKQBX-FXAWDEMLSA-N |