6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-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-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8011-7249 |
| Compound Name: | 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 506.14 |
| Molecular Formula: | C20 H11 Br Cl2 N4 O3 |
| Smiles: | C1Oc2cc(C3C(C#N)=C(N)Oc4c3c(c3ccc(c(c3)[Cl])[Cl])n[nH]4)c(cc2O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7584 |
| logD: | 4.7584 |
| logSw: | -5.0909 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.589 |
| InChI Key: | XPQOMELYOAUPAG-INIZCTEOSA-N |