rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyrimidine-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyrimidine-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyrimidine-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0998 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyrimidine-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C20 H21 F N4 O2 |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(c1cncnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6169 |
| logD: | 0.6169 |
| logSw: | -1.1923 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.934 |
| InChI Key: | PWKMYDQQCCLUMG-QAPCUYQASA-N |