N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G731-0698 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 374.85 |
| Molecular Formula: | C17 H15 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4378 |
| logD: | 2.2461 |
| logSw: | -4.0116 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.167 |
| InChI Key: | PSZYRFNUPHQINI-UHFFFAOYSA-N |