ethyl 1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
ethyl 1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Compound characteristics
| Compound ID: | 5868-0112 |
| Compound Name: | ethyl 1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CCOC(C1=NN(C(c2cccs2)N1c1ccc(cc1)N(C)C)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.96 |
| logD: | 5.9579 |
| logSw: | -6.1214 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.433 |
| InChI Key: | AMDRXPXNFGMJCE-QFIPXVFZSA-N |