4-[5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Chemical Structure Depiction of
4-[5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
4-[5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Compound characteristics
| Compound ID: | G922-0411 |
| Compound Name: | 4-[5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C29 H25 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1694 |
| logD: | 2.1979 |
| logSw: | -4.8241 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.246 |
| InChI Key: | GRWZILDCPDXLRN-VWLOTQADSA-N |