rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-phenylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-phenylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-phenylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0961 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-phenylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C25 H29 F N2 O2 |
| Smiles: | C(CC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9568 |
| logD: | 3.9568 |
| logSw: | -4.1501 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.657 |
| InChI Key: | PEQSOYQWIWPBAB-GGAORHGYSA-N |