4-(2-{[(3-methoxyphenyl)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-{[(3-methoxyphenyl)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-{[(3-methoxyphenyl)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: | G922-0229 |
| Compound Name: | 4-(2-{[(3-methoxyphenyl)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: | 541.63 |
| Molecular Formula: | C29 H27 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1cccc(c1)OC)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4611 |
| logD: | 2.4896 |
| logSw: | -5.3469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.845 |
| InChI Key: | IZLFQYFNLIWHCM-VWLOTQADSA-N |