N-[2-(2-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazinyl)-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(2-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazinyl)-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(2-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazinyl)-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 8003-7180 |
| Compound Name: | N-[2-(2-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}hydrazinyl)-2-oxoethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 451.44 |
| Molecular Formula: | C22 H21 N5 O6 |
| Smiles: | COc1ccc(cc1OC)c1c(/C=N/NC(CNC(c2ccc3c(c2)OCO3)=O)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.401 |
| logD: | 2.4009 |
| logSw: | -3.0304 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.592 |
| InChI Key: | CQUVVYBMBLKQAO-UHFFFAOYSA-N |