4-{2-(benzylsulfanyl)-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-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
4-{2-(benzylsulfanyl)-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: | C202-2785 |
| Compound Name: | 4-{2-(benzylsulfanyl)-6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C29 H27 N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8159 |
| logD: | 2.8444 |
| logSw: | -5.398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.301 |
| InChI Key: | ZIMJYRNFCCEMMM-VWLOTQADSA-N |