1-[1-(4-chlorophenyl)-5-{4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-5-{4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[1-(4-chlorophenyl)-5-{4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
Compound ID: | 8009-6559 |
Compound Name: | 1-[1-(4-chlorophenyl)-5-{4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
Molecular Weight: | 580.9 |
Molecular Formula: | C30 H24 Cl3 N3 O3 |
Smiles: | CC(C1=NN(C(c2ccc(c(c2)OC)OCc2c(cccc2[Cl])[Cl])N1c1ccccc1)c1ccc(cc1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 7.8564 |
logD: | 7.8564 |
logSw: | -6.4475 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.628 |
InChI Key: | VDEVHGQPTSNIGM-PMERELPUSA-N |