rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0128 |
| Compound Name: | rel-(5aR,8aR)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C21 H24 F N3 O3 |
| Smiles: | Cc1c(C(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)c(C)on1 |
| Stereo: | RELATIVE |
| logP: | 1.8906 |
| logD: | 1.8906 |
| logSw: | -2.2181 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.223 |
| InChI Key: | VOUFTNUGRJXWJQ-AEFFLSMTSA-N |