N-benzyl-2-({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-benzyl-2-({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y207-3353 |
| Compound Name: | N-benzyl-2-({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1C)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3508 |
| logD: | 3.3508 |
| logSw: | -3.5874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.998 |
| InChI Key: | VCEMUTRNJOJAOK-UHFFFAOYSA-N |