N-{1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N'-[4-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N'-[4-(methylsulfanyl)phenyl]urea
N-{1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N'-[4-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | T479-0935 |
| Compound Name: | N-{1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N'-[4-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C21 H25 N7 O S |
| Smiles: | CC1CCN(CC1)c1cncnc1n1cc(cn1)NC(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3002 |
| logD: | 4.2992 |
| logSw: | -3.9665 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.263 |
| InChI Key: | RPLVLUMESOMPMD-UHFFFAOYSA-N |