rel-(3aR,7aS)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y020-6063 |
| Compound Name: | rel-(3aR,7aS)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 289.33 |
| Molecular Formula: | C15 H19 N3 O3 |
| Smiles: | Cc1cc(C)n(C(CN2C([C@H]3CCCC[C@H]3C2=O)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1351 |
| logD: | 0.1351 |
| logSw: | -1.3706 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.495 |
| InChI Key: | LXUKKUOMMLYWMT-UHFFFAOYSA-N |