2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | V011-5912 |
| Compound Name: | 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 474.79 |
| Molecular Formula: | C22 H14 Cl3 N3 O S |
| Salt: | not_available |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1319 |
| logD: | 6.1319 |
| logSw: | -5.9379 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.659 |
| InChI Key: | BXHIGPLOERJKQX-UHFFFAOYSA-N |