4-({[6-(ethoxycarbonyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid

Chemical Structure Depiction of
4-({[6-(ethoxycarbonyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Available: 51 mg
Amount:
mg
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Compound characteristics

Compound ID: C202-1453
Compound Name: 4-({[6-(ethoxycarbonyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Molecular Weight: 456.54
Molecular Formula: C21 H20 N4 O4 S2
Smiles: CCOC(C1C(c2cccs2)n2c(NC=1C)nc(n2)SCc1ccc(cc1)C(O)=O)=O
Stereo: RACEMIC MIXTURE
logP: 4.0888
logD: 1.1173
logSw: -4.0353
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 85.68
InChI Key: DAHCEXCJGOZDOW-KRWDZBQOSA-N
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