N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-6828 |
| Compound Name: | N-benzyl-2-({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)OCc1nnc(n1CC=C)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2654 |
| logD: | 4.2654 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.253 |
| InChI Key: | KZBYYGYFWHGZJU-UHFFFAOYSA-N |