N-{(2,5-dimethoxyanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-fluorobenzamide
Chemical Structure Depiction of
N-{(2,5-dimethoxyanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-fluorobenzamide
N-{(2,5-dimethoxyanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-fluorobenzamide
Compound characteristics
| Compound ID: | Y021-1883 |
| Compound Name: | N-{(2,5-dimethoxyanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-fluorobenzamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C22 H22 F N5 O3 |
| Smiles: | Cc1cc(C)nc(NC(\Nc2cc(ccc2OC)OC)=N/C(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.534 |
| logD: | 2.1379 |
| logSw: | -3.7186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.324 |
| InChI Key: | YWQHQQGJNLOXNQ-UHFFFAOYSA-N |