rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0311 |
| Compound Name: | rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2cc(C3CC3)[nH]n2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.039 |
| logD: | 3.039 |
| logSw: | -3.1697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.197 |
| InChI Key: | DRRZMPJUQWBRCL-RXVVDRJESA-N |