[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | S988-1004 |
| Compound Name: | [rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C23 H28 N6 O2 |
| Smiles: | CC(C)n1cc(CN2C[C@H]3CN(C[C@]3(C2)c2nc(C)no2)C(c2ccccc2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7082 |
| logD: | -8.0883 |
| logSw: | -1.8662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.065 |
| InChI Key: | MZAGPFJLAMJTEL-OFNKIYASSA-N |