rel-(3aR,7aS)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9158 |
| Compound Name: | rel-(3aR,7aS)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 275.35 |
| Molecular Formula: | C15 H21 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(Cc2cn(CC)nc2C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1493 |
| logD: | 1.1493 |
| logSw: | -2.0051 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.538 |
| InChI Key: | QTELLERPONYPFJ-STQMWFEESA-N |