N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3,5-dimethoxybenzamide
N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | Y021-1649 |
| Compound Name: | N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3,5-dimethoxybenzamide |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C22 H21 Cl F N5 O3 |
| Smiles: | Cc1cc(C)nc(NC(\Nc2ccc(c(c2)[Cl])F)=N/C(c2cc(cc(c2)OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5164 |
| logD: | 2.3833 |
| logSw: | -4.6853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.935 |
| InChI Key: | DWJRBNSUMNQJRG-UHFFFAOYSA-N |