{[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
Available: 15 mg
Amount:
mg
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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
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