4-({[7-(4-chlorophenyl)-6-(ethoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Chemical Structure Depiction of
4-({[7-(4-chlorophenyl)-6-(ethoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
4-({[7-(4-chlorophenyl)-6-(ethoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Compound characteristics
| Compound ID: | C202-1451 |
| Compound Name: | 4-({[7-(4-chlorophenyl)-6-(ethoxycarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C23 H21 Cl N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0592 |
| logD: | 2.0878 |
| logSw: | -5.1456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.661 |
| InChI Key: | MKSIYRPXHPKMSA-IBGZPJMESA-N |