rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0307 |
| Compound Name: | rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2c(C)noc2C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1918 |
| logD: | 2.1918 |
| logSw: | -2.3809 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.223 |
| InChI Key: | DJJPCSYLLPAOSV-OALUTQOASA-N |