rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-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-1H-pyrazol-1-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0105 |
| Compound Name: | rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C23 H29 F N4 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.383 |
| logD: | 1.3828 |
| logSw: | -1.7416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.642 |
| InChI Key: | WZRUPXDCSBWFCG-CTNGQTDRSA-N |