methyl {[4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7420 |
| Compound Name: | methyl {[4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C17 H21 N3 O5 S |
| Smiles: | COC(CSc1nnc(c2cc(c(c(c2)OC)OC)OC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1436 |
| logD: | 2.1436 |
| logSw: | -2.3491 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.048 |
| InChI Key: | RONCDESTLUZZFN-UHFFFAOYSA-N |