4-({[6-(ethoxycarbonyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
4-({[6-(ethoxycarbonyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
4-({[6-(ethoxycarbonyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | C202-1449 |
| Compound Name: | 4-({[6-(ethoxycarbonyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)n2c(NC=1C)nc(n2)SCc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4469 |
| logD: | 1.4754 |
| logSw: | -4.1981 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.205 |
| InChI Key: | MSCJSHVEAXEOGM-FQEVSTJZSA-N |