4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Chemical Structure Depiction of
4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Compound characteristics
| Compound ID: | G922-0950 |
| Compound Name: | 4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid |
| Molecular Weight: | 546.05 |
| Molecular Formula: | C28 H24 Cl N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7229 |
| logD: | 2.7514 |
| logSw: | -5.9527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.301 |
| InChI Key: | UGEYHEGORISKDU-DEOSSOPVSA-N |