1-{5-[4-(dimethylamino)phenyl]-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-[4-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
1-{5-[4-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5868-0090 |
| Compound Name: | 1-{5-[4-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C26 H28 N4 O |
| Smiles: | CC(C1=NN(C(c2ccc(cc2)N(C)C)N1c1ccc(C)c(C)c1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1963 |
| logD: | 6.1694 |
| logSw: | -5.5264 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.488 |
| InChI Key: | VGFTUAWFFDLLAB-AREMUKBSSA-N |