1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | D481-2010 |
| Compound Name: | 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-phenylbutan-1-one |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C18 H17 Cl N4 O |
| Smiles: | CCC(C(n1c(N)nc(c2ccc(cc2)[Cl])n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1128 |
| logD: | 4.112 |
| logSw: | -4.6335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.847 |
| InChI Key: | OYYFISIICOCTNA-OAHLLOKOSA-N |