2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Compound characteristics
| Compound ID: | IB07-5973 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide |
| Molecular Weight: | 508.04 |
| Molecular Formula: | C26 H26 Cl N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1SCC(Nc1ccc(cc1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.84 |
| logD: | 5.82 |
| logSw: | -6.65 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.96 |
| InChI Key: | WVZDAXOONXHBKJ-UHFFFAOYSA-N |