ethyl {[4-methyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-methyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-methyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-8941 |
| Compound Name: | ethyl {[4-methyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CCOC(CSc1nnc(c2cc(c3ccccc3)nc3ccccc23)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6385 |
| logD: | 4.6376 |
| logSw: | -4.3958 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.54 |
| InChI Key: | GPQYLKIEWNCJOZ-UHFFFAOYSA-N |