1-{5-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
1-{5-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5868-0212 |
| Compound Name: | 1-{5-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | CC(C1=NN(C(c2ccc(cc2)N(C)C)N1c1ccccc1)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.031 |
| logD: | 5.0041 |
| logSw: | -4.7238 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.032 |
| InChI Key: | DMWMYLLPIUNVJZ-RUZDIDTESA-N |