3-{3-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]prop-2-enoyl}-2H-1-benzopyran-2-one
3-{3-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y501-5853 |
| Compound Name: | 3-{3-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C19 H18 N2 O3 |
| Smiles: | CC(C)n1c(C)c(/C=C/C(C2=Cc3ccccc3OC2=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.929 |
| logD: | 2.929 |
| logSw: | -3.2615 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.804 |
| InChI Key: | WNFLHAPVKSPGJB-UHFFFAOYSA-N |