[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S986-0181 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 438.61 |
| Molecular Formula: | C26 H38 N4 O2 |
| Smiles: | Cc1cc(C(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(CN(C)C)C2)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9893 |
| logD: | -2.6905 |
| logSw: | -2.7988 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.215 |
| InChI Key: | AVOJEHPMNRYMNY-OZXSUGGESA-N |