methyl [(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0676 |
| Compound Name: | methyl [(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C15 H17 N3 O5 S |
| Smiles: | CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6034 |
| logD: | 1.6034 |
| logSw: | -2.2896 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.407 |
| InChI Key: | GWHRJOQWSCLCQZ-UHFFFAOYSA-N |