4-{2-(ethylsulfanyl)-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-(ethylsulfanyl)-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
4-{2-(ethylsulfanyl)-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: | G922-0353 |
| Compound Name: | 4-{2-(ethylsulfanyl)-5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCSc1nc2NC(C)=C(C(c3ccc(cc3)C(O)=O)n2n1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.322 |
| logD: | 1.3505 |
| logSw: | -4.1138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.573 |
| InChI Key: | BBMKIVDQNCXQQV-IBGZPJMESA-N |