N-benzyl-2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-7310 |
| Compound Name: | N-benzyl-2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C21 H24 N4 O S2 |
| Smiles: | CCc1c(csc1C)c1nnc(n1CC=C)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5263 |
| logD: | 4.5263 |
| logSw: | -4.3939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.709 |
| InChI Key: | CCESAKODKVPGIM-UHFFFAOYSA-N |