2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-[(oxolan-2-yl)methyl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Chemical Structure Depiction of
2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-[(oxolan-2-yl)methyl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-[(oxolan-2-yl)methyl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Compound characteristics
| Compound ID: | Y020-4185 |
| Compound Name: | 2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-[(oxolan-2-yl)methyl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C19 H18 N6 O3 S |
| Smiles: | CSc1nc([nH]n1)N1C=Cc2c(cc3C(N(CC4CCCO4)C=Cc3n2)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5483 |
| logD: | 1.5318 |
| logSw: | -2.3344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.655 |
| InChI Key: | UBJNFDHAOWKJBU-LLVKDONJSA-N |