N-benzyl-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0050 |
| Compound Name: | N-benzyl-2-{[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | Cc1c(cco1)c1nnc(n1C)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0756 |
| logD: | 2.0755 |
| logSw: | -2.8987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.755 |
| InChI Key: | ZDRRTCGRJJBZFR-UHFFFAOYSA-N |