1-{4-[4-(dimethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(dimethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
1-{4-[4-(dimethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5868-0110 |
| Compound Name: | 1-{4-[4-(dimethylamino)phenyl]-1-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | CC(C1=NN(C(c2cccs2)N1c1ccc(cc1)N(C)C)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6424 |
| logD: | 4.6403 |
| logSw: | -4.488 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.506 |
| InChI Key: | DIRMVUNPEOPZFD-QFIPXVFZSA-N |