[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S986-0399 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CCn1c(ccn1)C(N1C[C@H]2CN(C[C@@]2(CN(C)C)C1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6376 |
| logD: | -2.4206 |
| logSw: | -1.4207 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.705 |
| InChI Key: | HNISSNJARALPLH-XMSQKQJNSA-N |