N-benzyl-2-({5-[1-(2-chloro-5-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({5-[1-(2-chloro-5-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-benzyl-2-({5-[1-(2-chloro-5-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y207-3982 |
| Compound Name: | N-benzyl-2-({5-[1-(2-chloro-5-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C21 H23 Cl N4 O2 S |
| Smiles: | CC(c1nnc(n1C)SCC(NCc1ccccc1)=O)Oc1cc(C)ccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1685 |
| logD: | 4.1685 |
| logSw: | -4.3721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.398 |
| InChI Key: | DQACQXVSUBNOEX-HNNXBMFYSA-N |