1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0427 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | Cc1cccc(c1)c1c(C(N2C[C@H]3CN(C[C@@]3(CN(C)C)C2)C(COC)=O)=O)nco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7291 |
| logD: | -2.3872 |
| logSw: | -1.529 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.621 |
| InChI Key: | PURRLOPBAQYAQB-MBSDFSHPSA-N |