N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y600-1522 |
| Compound Name: | N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 539.05 |
| Molecular Formula: | C27 H27 Cl N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1CCc1ccccc1)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2201 |
| logD: | 5.22 |
| logSw: | -5.691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.075 |
| InChI Key: | XFLLYLLCWWCZMU-UHFFFAOYSA-N |