6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8011-8989 |
| Compound Name: | 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 527.33 |
| Molecular Formula: | C23 H19 Br N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc2c(cc1[Br])OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1322 |
| logD: | 3.1321 |
| logSw: | -3.3675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.566 |
| InChI Key: | QRDMWNPWCFYYDB-SFHVURJKSA-N |