1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-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-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0480 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C25 H34 N4 O3 |
| Smiles: | Cc1c(cc(c2ccccc2)n1C)C(N1C[C@H]2CN(C[C@@]2(CN(C)C)C1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1904 |
| logD: | -1.9258 |
| logSw: | -2.28 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.545 |
| InChI Key: | AVMNHPHMHBSMQC-CPJSRVTESA-N |