N-{4-chloro-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{4-chloro-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-{4-chloro-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y502-8636 |
| Compound Name: | N-{4-chloro-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 388.21 |
| Molecular Formula: | C16 H11 Cl2 N7 O |
| Smiles: | C(c1ccc(cc1)[Cl])n1cc(c(NC(c2nc3ncccn3n2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.8669 |
| logD: | 1.1542 |
| logSw: | -2.668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.869 |
| InChI Key: | WCUQKGZBSCZEMM-UHFFFAOYSA-N |