rel-(5aR,8aR)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0890 |
| Compound Name: | rel-(5aR,8aR)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | Cc1cc(C)n(Cc2c(C(N3C[C@H]4CCCC(N[C@H]4C3)=O)=O)noc2C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0323 |
| logD: | -0.0326 |
| logSw: | -1.2072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.848 |
| InChI Key: | YWTMTSDYKRFZLH-HOCLYGCPSA-N |