rel-(5aR,8aR)-1-benzyl-7-(5-methyl-1,2-oxazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(5-methyl-1,2-oxazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(5-methyl-1,2-oxazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0273 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(5-methyl-1,2-oxazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | Cc1cc(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1876 |
| logD: | 2.1876 |
| logSw: | -2.5522 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.413 |
| InChI Key: | GQXXSZDHHIATFQ-WMZOPIPTSA-N |