6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 3394-0336 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C22 H18 N4 O6 |
| Smiles: | COc1cc(cc(c1O)OC)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.046 |
| logD: | 2.042 |
| logSw: | -2.5834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.329 |
| InChI Key: | HQSVPOCGCOLKJJ-QGZVFWFLSA-N |