methyl {[4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-5983 |
| Compound Name: | methyl {[4-ethyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C16 H21 N3 O5 S |
| Smiles: | CCn1c(c2cc(c(c(c2)OC)OC)OC)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9318 |
| logD: | 1.9317 |
| logSw: | -2.2633 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.794 |
| InChI Key: | MQSAOCIDIWKWEH-UHFFFAOYSA-N |