rel-(5aR,8aR)-1-benzyl-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1160 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(1,3-dimethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | Cc1cc(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2764 |
| logD: | 1.2764 |
| logSw: | -1.8738 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.507 |
| InChI Key: | OEYJQAKXPBYFQS-HKUYNNGSSA-N |