[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | S986-0413 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | Cc1c(C(N2C[C@H]3CN(C[C@@]3(CN(C)C)C2)C(c2ccccc2)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2134 |
| logD: | -2.8448 |
| logSw: | -1.4225 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.456 |
| InChI Key: | QSTOLFWPKSVOGH-AUSIDOKSSA-N |