4-[2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Chemical Structure Depiction of
4-[2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
4-[2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
Compound characteristics
| Compound ID: | G922-0168 |
| Compound Name: | 4-[2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C28 H25 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1cccc(c1)OC)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2763 |
| logD: | 2.3048 |
| logSw: | -5.0785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.543 |
| InChI Key: | OUQWCSNAASHQPF-DEOSSOPVSA-N |