rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0226 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | Cn1cc(cn1)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9172 |
| logD: | 0.9172 |
| logSw: | -1.4554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.993 |
| InChI Key: | PGCVJEIHRVCOMU-WMZOPIPTSA-N |