N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea
N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | D577-0197 |
| Compound Name: | N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C24 H28 N6 O S |
| Smiles: | Cc1cc(Nc2ccc(cc2)NC(Nc2cccc(c2)SC)=O)nc(n1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.263 |
| logD: | 5.644 |
| logSw: | -5.3179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.778 |
| InChI Key: | ADIHBPQSDWCEPR-UHFFFAOYSA-N |