6-[4-(methylsulfanyl)phenyl]-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
Chemical Structure Depiction of
6-[4-(methylsulfanyl)phenyl]-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
6-[4-(methylsulfanyl)phenyl]-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
Compound characteristics
| Compound ID: | 8017-5239 |
| Compound Name: | 6-[4-(methylsulfanyl)phenyl]-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C15 H13 N5 O2 S |
| Smiles: | CSc1ccc(cc1)C1CC(NC2=C1C(Nc1ncnn12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1339 |
| logD: | 1.1336 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.086 |
| InChI Key: | ILKVPRDTONECIW-JTQLQIEISA-N |