rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0136 |
| Compound Name: | rel-(5aR,8aR)-7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C22 H25 F N4 O2 |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(c1cc(C2CC2)[nH]n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7378 |
| logD: | 2.7378 |
| logSw: | -2.9914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.197 |
| InChI Key: | STQBTRBVNRSLAZ-UZLBHIALSA-N |