[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | C663-0768 |
| Compound Name: | [(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid |
| Molecular Weight: | 323.32 |
| Molecular Formula: | C13 H13 N3 O5 S |
| Smiles: | Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4583 |
| logD: | -2.8342 |
| logSw: | -1.9095 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.297 |
| InChI Key: | REOOCYGSVUZNEG-UHFFFAOYSA-N |