N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-1-phenylmethanesulfonamide
Chemical Structure Depiction of
N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-1-phenylmethanesulfonamide
N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-1-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | 6173-0372 |
| Compound Name: | N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-1-phenylmethanesulfonamide |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C20 H19 Cl F N5 O2 S |
| Smiles: | Cc1cc(C)nc(NC(\Nc2ccc(c(c2)[Cl])F)=N/S(Cc2ccccc2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9212 |
| logD: | 3.9173 |
| logSw: | -4.1911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.776 |
| InChI Key: | BJQJLORUTVWWQO-UHFFFAOYSA-N |