4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-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}-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Compound characteristics
| Compound ID: | C202-2544 |
| Compound Name: | 4-(2-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C29 H26 Cl N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4106 |
| logD: | 3.4391 |
| logSw: | -6.1205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.301 |
| InChI Key: | TYNKIRRDQHHVDC-VWLOTQADSA-N |