rel-(5aR,8aR)-1-benzyl-7-(pyrimidine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(pyrimidine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(pyrimidine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0218 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(pyrimidine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(c1ccncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1057 |
| logD: | 1.1057 |
| logSw: | -1.5268 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.375 |
| InChI Key: | XGGGWKKANJQZEF-WMZOPIPTSA-N |