N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-N'-phenylurea
Chemical Structure Depiction of
N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-N'-phenylurea
N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-N'-phenylurea
Compound characteristics
| Compound ID: | Y020-0997 |
| Compound Name: | N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-N'-phenylurea |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C21 H20 N8 O |
| Smiles: | Cc1cc(C)nc(Nc2nc(c3ccc(cc3)NC(Nc3ccccc3)=O)[nH]n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1809 |
| logD: | 4.164 |
| logSw: | -4.2843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.691 |
| InChI Key: | GWRZTUZCLAVMRB-UHFFFAOYSA-N |