7-(4-hydroxyphenyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
7-(4-hydroxyphenyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
7-(4-hydroxyphenyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | 8020-3352 |
| Compound Name: | 7-(4-hydroxyphenyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C13 H12 N4 O3 S |
| Smiles: | CSc1nc2NC(=CC(c3ccc(cc3)O)n2n1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6141 |
| logD: | -2.0251 |
| logSw: | -2.1491 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.678 |
| InChI Key: | WEWWJBGNXFJGTI-JTQLQIEISA-N |