6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(pyridin-3-yl)-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-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8013-5837 |
| Compound Name: | 6-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C19 H12 Br N5 O3 |
| Smiles: | C1Oc2cc(C3C(C#N)=C(N)Oc4c3c(c3cccnc3)n[nH]4)c(cc2O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1692 |
| logD: | 2.167 |
| logSw: | -2.4456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.106 |
| InChI Key: | ILVXGKMJTVHBKH-HNNXBMFYSA-N |