2-(methylsulfanyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
2-(methylsulfanyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
2-(methylsulfanyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | D718-1388 |
| Compound Name: | 2-(methylsulfanyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C14 H14 N4 O2 S2 |
| Smiles: | CSc1ccc(cc1)C1C=C(C(O)=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9531 |
| logD: | -0.686 |
| logSw: | -3.3766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.061 |
| InChI Key: | RFLQBYFGRLUKFZ-NSHDSACASA-N |