1-[1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5868-0114 |
| Compound Name: | 1-[1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 424.95 |
| Molecular Formula: | C22 H21 Cl N4 O S |
| Smiles: | CC(C1=NN(C(c2cccs2)N1c1ccc(cc1)N(C)C)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3586 |
| logD: | 5.3566 |
| logSw: | -5.9734 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.506 |
| InChI Key: | JSTDCJQVOLSWRR-QFIPXVFZSA-N |