1-[1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-6564 |
| Compound Name: | 1-[1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 619.76 |
| Molecular Formula: | C29 H20 Cl5 N3 O2 |
| Smiles: | CC(C1=NN(C(c2ccccc2OCc2c(cccc2[Cl])[Cl])N1c1ccc(c(c1)[Cl])[Cl])c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.8661 |
| logD: | 9.8661 |
| logSw: | -6.387 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.997 |
| InChI Key: | HPVFRERWANZFSS-LJAQVGFWSA-N |