1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-chlorophenyl)ethan-1-one
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1776 |
| Compound Name: | 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 312.76 |
| Molecular Formula: | C16 H13 Cl N4 O |
| Smiles: | C(C(n1c(N)nc(c2ccccc2)n1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1374 |
| logD: | 3.1297 |
| logSw: | -3.471 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.319 |
| InChI Key: | IJPUYAMZLMLZKA-UHFFFAOYSA-N |