6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8011-7245 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 497.3 |
| Molecular Formula: | C22 H17 Br N4 O5 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6596 |
| logD: | 3.6426 |
| logSw: | -3.9937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.278 |
| InChI Key: | CQYQABPTXGOLRY-KRWDZBQOSA-N |