rel-(5aR,8aR)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0320 |
| Compound Name: | rel-(5aR,8aR)-7-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C23 H30 N4 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(Cn2c(C)cc(C)n2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.537 |
| logD: | 1.537 |
| logSw: | -1.9065 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.664 |
| InChI Key: | CKRDGTBJBDLXGE-SFTDATJTSA-N |