[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | S986-0142 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C22 H30 N4 O S |
| Smiles: | Cc1c(C(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(CN(C)C)C2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3815 |
| logD: | -2.2983 |
| logSw: | -2.538 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.09 |
| InChI Key: | VWGRODNGPTWLTH-UGKGYDQZSA-N |