N-(1-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-chlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-chlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-chlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-1006 |
| Compound Name: | N-(1-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-chlorophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 408.85 |
| Molecular Formula: | C20 H17 Cl N6 O2 |
| Smiles: | C(c1ccccc1)n1cnc(NC(c2ccn(COc3ccc(cc3)[Cl])n2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4688 |
| logD: | 3.4474 |
| logSw: | -3.8075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.915 |
| InChI Key: | BQULSBQQHRJEKO-UHFFFAOYSA-N |