rel-(5aR,8aR)-1-benzyl-7-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1145 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | CCn1cc(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.569 |
| logD: | 1.569 |
| logSw: | -2.1255 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.039 |
| InChI Key: | OZJDPNMUBDCIBH-ICSRJNTNSA-N |