[rel-(2R,3R)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-oxooxolan-2-yl]methyl benzoate
Chemical Structure Depiction of
[rel-(2R,3R)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-oxooxolan-2-yl]methyl benzoate
[rel-(2R,3R)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-oxooxolan-2-yl]methyl benzoate
Compound characteristics
| Compound ID: | 8019-8553 |
| Compound Name: | [rel-(2R,3R)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-oxooxolan-2-yl]methyl benzoate |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C17 H18 N2 O4 |
| Smiles: | Cc1cc(C)n([C@H]2CC(=O)O[C@@H]2COC(c2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9991 |
| logD: | 1.9991 |
| logSw: | -2.3677 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.88 |
| InChI Key: | OPUXBKGGQYWSDV-CABCVRRESA-N |