rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(3-fluoropyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(3-fluoropyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(3-fluoropyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0985 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(3-fluoropyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 385.41 |
| Molecular Formula: | C21 H21 F2 N3 O2 |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(c1c(cccn1)F)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.031 |
| logD: | 2.031 |
| logSw: | -2.239 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.003 |
| InChI Key: | UORMKONBNHGTHK-MAUKXSAKSA-N |