1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-5537 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 298.34 |
| Molecular Formula: | C17 H18 N2 O3 |
| Smiles: | CCn1cc(\C=C/C(c2ccc3c(c2)OCCO3)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5412 |
| logD: | 1.5412 |
| logSw: | -1.8924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.892 |
| InChI Key: | LMBXEFXHDQEMER-UHFFFAOYSA-N |