N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-cyclohexylurea
Chemical Structure Depiction of
N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-cyclohexylurea
N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-cyclohexylurea
Compound characteristics
| Compound ID: | Y021-1654 |
| Compound Name: | N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-N'-cyclohexylurea |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C20 H24 Cl F N6 O |
| Smiles: | Cc1cc(C)nc(NC(\Nc2ccc(c(c2)[Cl])F)=N/C(NC2CCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6437 |
| logD: | 0.3812 |
| logSw: | -4.8112 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.107 |
| InChI Key: | XWQBXKZURRCZMR-UHFFFAOYSA-N |