rel-(3aR,7aS)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9178 |
| Compound Name: | rel-(3aR,7aS)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 301.27 |
| Molecular Formula: | C13 H14 F3 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1c(C(F)(F)F)n[nH]c1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6667 |
| logD: | 1.6666 |
| logSw: | -2.5185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.579 |
| InChI Key: | LACLRVRRQXTGGN-OCAPTIKFSA-N |