rel-(5aR,8aR)-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0304 |
| Compound Name: | rel-(5aR,8aR)-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2cc(C)nn2C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6998 |
| logD: | 1.6998 |
| logSw: | -2.1033 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.507 |
| InChI Key: | FULSJVOULNKVHC-ICSRJNTNSA-N |