3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one
3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y501-1938 |
| Compound Name: | 3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 294.31 |
| Molecular Formula: | C17 H14 N2 O3 |
| Smiles: | Cc1c(/C=C/C(C2=Cc3ccccc3OC2=O)=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8843 |
| logD: | 1.8843 |
| logSw: | -2.2839 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.298 |
| InChI Key: | WMJOWFYUQJYKTH-UHFFFAOYSA-N |