6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
Compound ID: | 3394-0335 |
Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
Molecular Weight: | 418.41 |
Molecular Formula: | C22 H18 N4 O5 |
Smiles: | CCOc1cc(ccc1O)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7003 |
logD: | 2.6993 |
logSw: | -2.9055 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 111.347 |
InChI Key: | WRUADZCKGKNEQG-GOSISDBHSA-N |