3-[2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
3-[2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-benzofuran-1(3H)-one
3-[2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | Y501-1958 |
| Compound Name: | 3-[2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-benzofuran-1(3H)-one |
| Molecular Weight: | 270.29 |
| Molecular Formula: | C15 H14 N2 O3 |
| Smiles: | Cc1c(cn(C)n1)C(CC1c2ccccc2C(=O)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9302 |
| logD: | 0.9302 |
| logSw: | -2.0052 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.424 |
| InChI Key: | UMEALXRLUSKTSE-CQSZACIVSA-N |