1-{5-[2-(benzyloxy)-3-methoxyphenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[2-(benzyloxy)-3-methoxyphenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
1-{5-[2-(benzyloxy)-3-methoxyphenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8011-1542 |
| Compound Name: | 1-{5-[2-(benzyloxy)-3-methoxyphenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one |
| Molecular Weight: | 505.62 |
| Molecular Formula: | C32 H31 N3 O3 |
| Smiles: | CC(C1=NN(C(c2cccc(c2OCc2ccccc2)OC)N1c1ccc(C)c(C)c1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5061 |
| logD: | 7.5061 |
| logSw: | -5.6744 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.714 |
| InChI Key: | MOJYUEHNYLIIDI-JGCGQSQUSA-N |