rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-methyl-1,3-oxazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-methyl-1,3-oxazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-methyl-1,3-oxazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0196 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(4-methyl-1,3-oxazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C20 H22 F N3 O3 |
| Smiles: | Cc1c(C(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5628 |
| logD: | 1.5628 |
| logSw: | -1.7192 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.098 |
| InChI Key: | AQMOQBSVKGFZQV-WBVHZDCISA-N |