4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Chemical Structure Depiction of
4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Compound characteristics
| Compound ID: | C202-2446 |
| Compound Name: | 4-(2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid |
| Molecular Weight: | 555.66 |
| Molecular Formula: | C30 H29 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4837 |
| logD: | 3.5122 |
| logSw: | -5.505 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.543 |
| InChI Key: | PLSLMMGCTJEXTN-SANMLTNESA-N |