1-[4-(4-chlorophenyl)-5-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorophenyl)-5-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[4-(4-chlorophenyl)-5-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
Compound ID: | 8011-1560 |
Compound Name: | 1-[4-(4-chlorophenyl)-5-{2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
Molecular Weight: | 560.48 |
Molecular Formula: | C31 H27 Cl2 N3 O3 |
Smiles: | CCOc1cccc(C2N(C(C(C)=O)=NN2c2ccccc2)c2ccc(cc2)[Cl])c1OCc1ccccc1[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 7.9455 |
logD: | 7.9455 |
logSw: | -6.3417 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.294 |
InChI Key: | XVDZXVQAAOQVOR-HKBQPEDESA-N |