methyl {[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7540 |
| Compound Name: | methyl {[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C13 H15 N3 O3 S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2246 |
| logD: | 1.2246 |
| logSw: | -1.9113 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.376 |
| InChI Key: | ZYFGONKMFZMNFG-UHFFFAOYSA-N |