2-oxo-2-phenylethyl {[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-oxo-2-phenylethyl {[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
2-oxo-2-phenylethyl {[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0662 |
| Compound Name: | 2-oxo-2-phenylethyl {[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | Cn1c(c2cccs2)nnc1SCC(=O)OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7243 |
| logD: | 2.7226 |
| logSw: | -2.9263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.85 |
| InChI Key: | COBPQWNSGGXQON-UHFFFAOYSA-N |