ethyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V002-6856 |
| Compound Name: | ethyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8442 |
| logD: | 3.8442 |
| logSw: | -3.9426 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.23 |
| InChI Key: | CPCOPJGWDGFIOF-UHFFFAOYSA-N |