rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0104 |
| Compound Name: | rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C23 H28 F N3 O3 |
| Smiles: | Cc1c(CCC(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2843 |
| logD: | 2.2843 |
| logSw: | -2.5414 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.695 |
| InChI Key: | NFBKEXRQTZRPLX-NQIIRXRSSA-N |