methyl {[5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5865 |
| Compound Name: | methyl {[5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C13 H15 N3 O3 S |
| Smiles: | Cc1c(cco1)c1nnc(n1CC=C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8406 |
| logD: | 1.8406 |
| logSw: | -2.3686 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.303 |
| InChI Key: | MGYXRHPPMWGDOA-UHFFFAOYSA-N |