6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
Compound ID: | 3394-0108 |
Compound Name: | 6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
Molecular Weight: | 456.86 |
Molecular Formula: | C22 H18 Cl F N4 O4 |
Smiles: | COc1cc(cc(c1OC)OC)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1c(cccc1[Cl])F |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1278 |
logD: | 3.1278 |
logSw: | -3.8101 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 93.451 |
InChI Key: | QYISSVPBHUMOFQ-MRXNPFEDSA-N |