N-(4-bromo-2-chlorophenyl)-N'-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}urea
Chemical Structure Depiction of
N-(4-bromo-2-chlorophenyl)-N'-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}urea
N-(4-bromo-2-chlorophenyl)-N'-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}urea
Compound characteristics
| Compound ID: | Y205-1002 |
| Compound Name: | N-(4-bromo-2-chlorophenyl)-N'-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}urea |
| Molecular Weight: | 441.11 |
| Molecular Formula: | C16 H12 Br Cl2 N5 O |
| Smiles: | C(c1ccc(cc1)[Cl])n1cnc(NC(Nc2ccc(cc2[Cl])[Br])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0326 |
| logD: | 5.0283 |
| logSw: | -5.2999 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.065 |
| InChI Key: | NDHFIENPFYGCLJ-UHFFFAOYSA-N |