2-benzyl-8-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Chemical Structure Depiction of
2-benzyl-8-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-benzyl-8-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Compound characteristics
Compound ID: | Y020-4183 |
Compound Name: | 2-benzyl-8-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione |
Molecular Weight: | 416.46 |
Molecular Formula: | C21 H16 N6 O2 S |
Smiles: | CSc1nc([nH]n1)N1C=Cc2c(cc3C(N(Cc4ccccc4)C=Cc3n2)=O)C1=O |
Stereo: | ACHIRAL |
logP: | 2.7919 |
logD: | 2.7754 |
logSw: | -3.5088 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.001 |
InChI Key: | JKGLKXQXURQZGT-UHFFFAOYSA-N |