1-[4-(difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylic acid--acetic acid (1/1)
Chemical Structure Depiction of
1-[4-(difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylic acid--acetic acid (1/1)
1-[4-(difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | Y507-0161 |
| Compound Name: | 1-[4-(difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl]-1H-pyrazole-3-carboxylic acid--acetic acid (1/1) |
| Molecular Weight: | 366.28 |
| Molecular Formula: | C13 H8 F2 N4 O3 |
| Salt: | CH3COOH |
| Smiles: | c1cc(c2cc(C(F)F)nc(n2)n2ccc(C(O)=O)n2)oc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6952 |
| logD: | -2.2717 |
| logSw: | -1.6586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.692 |
| InChI Key: | JCESCARTSRUOSR-UHFFFAOYSA-N |