N-(3-chloro-2-methylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-9130 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C26 H25 Cl N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(COc2ccccc2)nnc1SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0588 |
| logD: | 6.0587 |
| logSw: | -6.0136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.338 |
| InChI Key: | SGOPGLXBZQQACA-UHFFFAOYSA-N |