4-({[6-(ethoxycarbonyl)-7-(4-fluorophenyl)-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-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
4-({[6-(ethoxycarbonyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | C202-1452 |
| Compound Name: | 4-({[6-(ethoxycarbonyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C23 H21 F N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(NC=1C)nc(n2)SCc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4936 |
| logD: | 1.5221 |
| logSw: | -4.1707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.661 |
| InChI Key: | YNVKQDKZVFJHRX-IBGZPJMESA-N |