methyl {[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7481 |
| Compound Name: | methyl {[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 305.4 |
| Molecular Formula: | C15 H19 N3 O2 S |
| Smiles: | CCn1c(CCc2ccccc2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5963 |
| logD: | 2.596 |
| logSw: | -2.6756 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.792 |
| InChI Key: | XBQKKBSQQIDWOL-UHFFFAOYSA-N |