2-(methylsulfanyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
2-(methylsulfanyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
2-(methylsulfanyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | Y020-8754 |
| Compound Name: | 2-(methylsulfanyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C13 H12 N4 O2 S |
| Smiles: | CSc1nc2NC(=CC(c3ccccc3)n2n1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2381 |
| logD: | -1.401 |
| logSw: | -2.8001 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.061 |
| InChI Key: | PUUMPCVYMWWOFF-JTQLQIEISA-N |