1-[5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-8498 |
| Compound Name: | 1-[5-{2-[(2,6-dichlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 546.45 |
| Molecular Formula: | C30 H25 Cl2 N3 O3 |
| Smiles: | CC(C1=NN(C(c2ccccc2OCc2c(cccc2[Cl])[Cl])N1c1ccc(cc1)OC)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7781 |
| logD: | 7.7781 |
| logSw: | -6.3537 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.541 |
| InChI Key: | PHJXCUPZCGVMBY-PMERELPUSA-N |