4-[6-(methoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Chemical Structure Depiction of
4-[6-(methoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
4-[6-(methoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Compound characteristics
Compound ID: | 5848-0316 |
Compound Name: | 4-[6-(methoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid |
Molecular Weight: | 314.3 |
Molecular Formula: | C15 H14 N4 O4 |
Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)ncn2)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 1.8375 |
logD: | -1.134 |
logSw: | -2.0954 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.572 |
InChI Key: | SZALUCGSTRXUKW-LBPRGKRZSA-N |