1-[5-(benzylamino)-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(benzylamino)-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
1-[5-(benzylamino)-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6855-0217 |
| Compound Name: | 1-[5-(benzylamino)-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C17 H15 Cl N4 O |
| Smiles: | CC(n1c(NCc2ccccc2)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5707 |
| logD: | 3.5707 |
| logSw: | -4.1217 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.966 |
| InChI Key: | ULLSZOGJVSIYMU-UHFFFAOYSA-N |