5-(2-methoxyphenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2-methoxyphenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2-methoxyphenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
Compound ID: | K781-0741 |
Compound Name: | 5-(2-methoxyphenyl)-6-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
Molecular Weight: | 506.58 |
Molecular Formula: | C25 H26 N6 O4 S |
Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.467 |
logD: | 2.4439 |
logSw: | -2.7272 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.952 |
InChI Key: | BCEFZKKERVOOAU-UHFFFAOYSA-N |