N-(4-chlorophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-chlorophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-6518 |
| Compound Name: | N-(4-chlorophenyl)-2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C21 H23 Cl N4 O2 S |
| Smiles: | CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7254 |
| logD: | 4.7253 |
| logSw: | -4.7779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.59 |
| InChI Key: | JEJJOQZNBBUOKE-UHFFFAOYSA-N |