N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-7015 |
| Compound Name: | N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CCn1c(COc2ccc(C)cc2C)nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0536 |
| logD: | 4.0536 |
| logSw: | -4.0209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.999 |
| InChI Key: | CITPPHVXLYYGCA-UHFFFAOYSA-N |