1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5868-0215 |
| Compound Name: | 1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C26 H27 N3 O2 |
| Smiles: | CC(C1=NN(C(c2ccc(C)cc2)N1c1ccc(C)c(C)c1)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6336 |
| logD: | 6.6336 |
| logSw: | -5.6225 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.227 |
| InChI Key: | KUPPFNPMATTWFS-AREMUKBSSA-N |