ethyl {[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V008-8748 |
| Compound Name: | ethyl {[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2ccc(cc2)OC)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4044 |
| logD: | 4.4044 |
| logSw: | -4.1957 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.687 |
| InChI Key: | YBRADZYVTWMXSW-UHFFFAOYSA-N |