4-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}phenyl thiocyanate
Chemical Structure Depiction of
4-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}phenyl thiocyanate
4-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}phenyl thiocyanate
Compound characteristics
| Compound ID: | D482-1833 |
| Compound Name: | 4-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}phenyl thiocyanate |
| Molecular Weight: | 332.43 |
| Molecular Formula: | C19 H16 N4 S |
| Smiles: | Cc1cccc(c1)c1cc(Nc2ccc(cc2)SC#N)nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1301 |
| logD: | 4.3604 |
| logSw: | -5.1856 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.427 |
| InChI Key: | XJVWFRKYONSRPT-UHFFFAOYSA-N |