4-{[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino}phenyl thiocyanate
Chemical Structure Depiction of
4-{[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino}phenyl thiocyanate
4-{[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino}phenyl thiocyanate
Compound characteristics
| Compound ID: | D482-2089 |
| Compound Name: | 4-{[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino}phenyl thiocyanate |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | Cc1nc(cc(Nc2ccc(cc2)SC#N)n1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.865 |
| logD: | 4.5137 |
| logSw: | -4.6723 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.971 |
| InChI Key: | IKJQVMHJIQEBDZ-UHFFFAOYSA-N |