{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
Compound ID: | C663-0769 |
Compound Name: | {[5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
Molecular Weight: | 293.3 |
Molecular Formula: | C12 H11 N3 O4 S |
Smiles: | Cn1c(c2ccc3c(c2)OCO3)nnc1SCC(O)=O |
Stereo: | ACHIRAL |
logP: | 1.225 |
logD: | -2.0675 |
logSw: | -2.1194 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.822 |
InChI Key: | IGMDBVXBBLBDSE-UHFFFAOYSA-N |