1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one
Compound characteristics
Compound ID: | D481-2012 |
Compound Name: | 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2,2-diphenylethan-1-one |
Molecular Weight: | 388.85 |
Molecular Formula: | C22 H17 Cl N4 O |
Smiles: | c1ccc(cc1)C(C(n1c(N)nc(c2ccc(cc2)[Cl])n1)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.7646 |
logD: | 4.4009 |
logSw: | -5.2589 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.575 |
InChI Key: | INFOVFYSGLSRBD-UHFFFAOYSA-N |