rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0979 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(5-methylpyrazine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C21 H23 F N4 O2 |
| Smiles: | Cc1cnc(cn1)C(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.6229 |
| logD: | 1.6229 |
| logSw: | -1.6505 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.266 |
| InChI Key: | QYMPFZZRPHLGTG-APWZRJJASA-N |