1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | D481-2125 |
| Compound Name: | 1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one |
| Molecular Weight: | 312.76 |
| Molecular Formula: | C16 H13 Cl N4 O |
| Smiles: | C(C(n1c(N)nc(c2ccccc2[Cl])n1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8794 |
| logD: | 2.8767 |
| logSw: | -3.6912 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.319 |
| InChI Key: | ASGKJKAUJFXOCQ-UHFFFAOYSA-N |