N-(3,4-dichlorophenyl)-N'-{[(4,6-dimethylpyrimidin-2-yl)amino](4-fluoro-3-nitroanilino)methylidene}urea
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-N'-{[(4,6-dimethylpyrimidin-2-yl)amino](4-fluoro-3-nitroanilino)methylidene}urea
N-(3,4-dichlorophenyl)-N'-{[(4,6-dimethylpyrimidin-2-yl)amino](4-fluoro-3-nitroanilino)methylidene}urea
Compound characteristics
| Compound ID: | Y021-1464 |
| Compound Name: | N-(3,4-dichlorophenyl)-N'-{[(4,6-dimethylpyrimidin-2-yl)amino](4-fluoro-3-nitroanilino)methylidene}urea |
| Molecular Weight: | 492.3 |
| Molecular Formula: | C20 H16 Cl2 F N7 O3 |
| Smiles: | Cc1cc(C)nc(NC(\Nc2ccc(c(c2)[N+]([O-])=O)F)=N/C(Nc2ccc(c(c2)[Cl])[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9767 |
| logD: | 1.2885 |
| logSw: | -5.157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.14 |
| InChI Key: | BGOYBBKJSMULHM-UHFFFAOYSA-N |