1-[1,4-bis(4-chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1,4-bis(4-chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[1,4-bis(4-chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-4293 |
| Compound Name: | 1-[1,4-bis(4-chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 416.33 |
| Molecular Formula: | C20 H15 Cl2 N3 O S |
| Smiles: | CC(C1=NN(C(c2cccs2)N1c1ccc(cc1)[Cl])c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8633 |
| logD: | 5.8633 |
| logSw: | -6.0914 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.701 |
| InChI Key: | XXLLDOLPZPSGMX-FQEVSTJZSA-N |