1-[5-{3-[(4-chlorophenyl)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-{3-[(4-chlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[5-{3-[(4-chlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-6560 |
| Compound Name: | 1-[5-{3-[(4-chlorophenyl)methoxy]phenyl}-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 512.01 |
| Molecular Formula: | C30 H26 Cl N3 O3 |
| Smiles: | CC(C1=NN(C(c2cccc(c2)OCc2ccc(cc2)[Cl])N1c1ccc(cc1)OC)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9583 |
| logD: | 6.9583 |
| logSw: | -6.3291 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.454 |
| InChI Key: | JBAVUQFLVLHFKB-PMERELPUSA-N |