rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0947 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C26 H26 F N3 O3 |
| Smiles: | Cc1cccc(c1)c1c(C(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)nco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4701 |
| logD: | 3.4701 |
| logSw: | -3.6856 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.021 |
| InChI Key: | ZOLWXSXNIDNGSJ-IRLDBZIGSA-N |