1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
Compound characteristics
Compound ID: | K898-0635 |
Compound Name: | 1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one |
Molecular Weight: | 438.59 |
Molecular Formula: | C23 H30 N6 O S |
Smiles: | CCc1ccc(cc1)N1C(c2c(C)n[nH]c2N=C1SCC(N1CC(C)CC(C)C1)=O)=N |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.8524 |
logD: | -0.4162 |
logSw: | -4.0766 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.028 |
InChI Key: | PCDWDXNYCDCLKQ-UHFFFAOYSA-N |