methyl {[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5345 |
| Compound Name: | methyl {[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 291.37 |
| Molecular Formula: | C14 H17 N3 O2 S |
| Smiles: | Cn1c(CCc2ccccc2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9817 |
| logD: | 1.9816 |
| logSw: | -2.1329 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.877 |
| InChI Key: | HRJBQUREDQBSBB-UHFFFAOYSA-N |