1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one
1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1917 |
| Compound Name: | 1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C17 H15 Cl N4 O |
| Smiles: | Cc1cccc(c1)c1nc(N)n(C(Cc2ccc(cc2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6117 |
| logD: | 3.6041 |
| logSw: | -3.9129 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.319 |
| InChI Key: | XJCBLOBYCFLCJC-UHFFFAOYSA-N |