6-amino-3-(3-nitrophenyl)-4-(2,4,6-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(3-nitrophenyl)-4-(2,4,6-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(3-nitrophenyl)-4-(2,4,6-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
Compound ID: | 3394-0242 |
Compound Name: | 6-amino-3-(3-nitrophenyl)-4-(2,4,6-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
Molecular Weight: | 449.42 |
Molecular Formula: | C22 H19 N5 O6 |
Smiles: | COc1cc(c(C2C(C#N)=C(N)Oc3c2c(c2cccc(c2)[N+]([O-])=O)n[nH]3)c(c1)OC)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.055 |
logD: | 3.055 |
logSw: | -3.4949 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 126.659 |
InChI Key: | PNQNEDLMLRRRQA-QGZVFWFLSA-N |