ethyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1991 |
| Compound Name: | ethyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CCOC(CSc1nnc(Cc2ccccc2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0549 |
| logD: | 4.0549 |
| logSw: | -4.0168 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.119 |
| InChI Key: | WUQQXBKIIVSVFN-UHFFFAOYSA-N |