2-chloro-N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-5-nitrobenzamide
2-chloro-N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-5-nitrobenzamide
Compound characteristics
| Compound ID: | Y021-1650 |
| Compound Name: | 2-chloro-N-{(3-chloro-4-fluoroanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-5-nitrobenzamide |
| Molecular Weight: | 477.28 |
| Molecular Formula: | C20 H15 Cl2 F N6 O3 |
| Smiles: | Cc1cc(C)nc(NC(/Nc2ccc(c(c2)[Cl])F)=N/C(c2cc(ccc2[Cl])[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8137 |
| logD: | 4.7674 |
| logSw: | -5.0136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.229 |
| InChI Key: | XVYFUFAIYPYMCY-UHFFFAOYSA-N |