7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | D718-1389 |
| Compound Name: | 7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | CSc1nc2NC(=CC(c3ccc(cc3)OCc3ccccc3)n2n1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6482 |
| logD: | 0.009 |
| logSw: | -3.8439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.288 |
| InChI Key: | MOWWOFLFVYVRKT-KRWDZBQOSA-N |