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
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
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 |