1-(5-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethan-1-one
Chemical Structure Depiction of
1-(5-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethan-1-one
1-(5-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8011-1559 |
| Compound Name: | 1-(5-{2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-1,4-diphenyl-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(c2OCc2ccccc2[Cl])OC)N1c1ccccc1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7117 |
| logD: | 6.7117 |
| logSw: | -6.235 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.714 |
| InChI Key: | YVDFCXRIRDNIMH-PMERELPUSA-N |