N-(2,4-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-7521 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CCn1c(COc2ccccc2)nnc1SCC(Nc1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7017 |
| logD: | 3.7017 |
| logSw: | -3.7483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.892 |
| InChI Key: | LKVSQEPTGZKAPM-UHFFFAOYSA-N |