7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | C276-1701 |
| Compound Name: | 7-[4-(methylsulfanyl)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: | CSc1ccc(cc1)C1C=C(C(O)=O)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.973 |
| logD: | -1.6662 |
| logSw: | -2.6541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.28 |
| InChI Key: | IOEUMGDZRCIYSM-NSHDSACASA-N |