[rel-(3aR,6aR)-5-benzoyl-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-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | S986-0351 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | Cc1c(C(N2C[C@H]3CN(C[C@@]3(CN(C)C)C2)C(c2ccccc2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7233 |
| logD: | -1.3349 |
| logSw: | -2.2172 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.005 |
| InChI Key: | MCZLHCSJXIOPNJ-XMSQKQJNSA-N |