[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | SC54-0277 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C23 H27 N5 O2 S |
| Smiles: | Cc1c(C(N2CC[C@@]3(CN(Cc4ccccc4)C[C@@H]3C2)c2nnc(C)o2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4903 |
| logD: | -0.3034 |
| logSw: | -2.4866 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.646 |
| InChI Key: | TYTXPPVEPTVIIQ-WMZHIEFXSA-N |