ethyl {[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V002-6868 |
| Compound Name: | ethyl {[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2cccc(C)c2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2464 |
| logD: | 4.2463 |
| logSw: | -4.2245 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.143 |
| InChI Key: | KUGBMINBBIRCPA-UHFFFAOYSA-N |