N-(3-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB07-7132 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 513.44 |
| Molecular Formula: | C25 H22 Cl2 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccccc2[Cl])nnc1SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2 |
| logD: | 6.2 |
| logSw: | -7.28 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.89 |
| InChI Key: | FFZDFGAMTSSGEB-UHFFFAOYSA-N |