1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-methoxyethan-1-one
Chemical Structure Depiction of
1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-methoxyethan-1-one
1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | 6855-0077 |
| Compound Name: | 1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-methoxyethan-1-one |
| Molecular Weight: | 356.81 |
| Molecular Formula: | C18 H17 Cl N4 O2 |
| Smiles: | COCC(n1c(NCc2ccccc2[Cl])nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2795 |
| logD: | 3.2795 |
| logSw: | -3.6449 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.395 |
| InChI Key: | YAKCSCDKLLQGDE-UHFFFAOYSA-N |