methyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7422 |
| Compound Name: | methyl {[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | COC(CSc1nnc(c2ccc(cc2)OC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6436 |
| logD: | 2.6436 |
| logSw: | -2.7808 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.613 |
| InChI Key: | IRVSSIVZVMDMMV-UHFFFAOYSA-N |