[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | S986-0191 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 395.55 |
| Molecular Formula: | C23 H33 N5 O |
| Smiles: | CCn1c(C)c(cn1)C(N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(CN(C)C)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5433 |
| logD: | -3.1366 |
| logSw: | -2.0484 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.626 |
| InChI Key: | VLVXFADQOLRSII-REWPJTCUSA-N |