N-[3-(methylsulfanyl)phenyl]-N'-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-N'-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea
N-[3-(methylsulfanyl)phenyl]-N'-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea
Compound characteristics
Compound ID: | P431-1344 |
Compound Name: | N-[3-(methylsulfanyl)phenyl]-N'-{1-[5-(piperidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}urea |
Molecular Weight: | 409.51 |
Molecular Formula: | C20 H23 N7 O S |
Smiles: | CSc1cccc(c1)NC(Nc1cnn(c1)c1ncc(cn1)N1CCCCC1)=O |
Stereo: | ACHIRAL |
logP: | 3.3849 |
logD: | 3.3849 |
logSw: | -3.7199 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.893 |
InChI Key: | QZCAUEFEFKAJPT-UHFFFAOYSA-N |