6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4333-4147 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,4-dichlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 427.24 |
| Molecular Formula: | C20 H12 Cl2 N4 O3 |
| Smiles: | C1Oc2ccc(cc2O1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.507 |
| logD: | 4.5069 |
| logSw: | -4.6716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.589 |
| InChI Key: | YNVIQKIWGNERJD-INIZCTEOSA-N |