3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-1788 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | CCn1c(C)c(cn1)C(/C=C/Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7936 |
| logD: | 0.7822 |
| logSw: | -2.2503 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.219 |
| InChI Key: | AFMCMNLGFXCDBO-UHFFFAOYSA-N |