6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
Compound ID: | 3394-0306 |
Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
Molecular Weight: | 403.35 |
Molecular Formula: | C20 H13 N5 O5 |
Smiles: | C1Oc2ccc(cc2O1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(cc1)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8692 |
logD: | 2.8692 |
logSw: | -3.4391 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 120.97 |
InChI Key: | BBSNNTSQIXJVKS-INIZCTEOSA-N |