[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](2-methylphenyl)methanone
Chemical Structure Depiction of
[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](2-methylphenyl)methanone
[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](2-methylphenyl)methanone
Compound characteristics
| Compound ID: | D481-1996 |
| Compound Name: | [5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](2-methylphenyl)methanone |
| Molecular Weight: | 312.76 |
| Molecular Formula: | C16 H13 Cl N4 O |
| Smiles: | Cc1ccccc1C(n1c(N)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4522 |
| logD: | 3.4522 |
| logSw: | -4.0637 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.847 |
| InChI Key: | AZTCCWXCLVNBIQ-UHFFFAOYSA-N |