rel-(5aR,8aR)-7-[3-(4-methoxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(4-methoxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(4-methoxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0393 |
| Compound Name: | rel-(5aR,8aR)-7-[3-(4-methoxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C26 H32 N2 O3 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(CCc2ccc(cc2)OC)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6594 |
| logD: | 3.6594 |
| logSw: | -3.7296 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.201 |
| InChI Key: | FNYIYGNSIFAHRP-UPVQGACJSA-N |