2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-(pyridin-2-yl)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-(pyridin-2-yl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-(pyridin-2-yl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Compound characteristics
Compound ID: | Y020-4187 |
Compound Name: | 2-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-(pyridin-2-yl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione |
Molecular Weight: | 403.42 |
Molecular Formula: | C19 H13 N7 O2 S |
Smiles: | CSc1nc([nH]n1)N1C=Cc2c(cc3C(N(C=Cc3n2)c2ccccn2)=O)C1=O |
Stereo: | ACHIRAL |
logP: | 2.3975 |
logD: | 2.381 |
logSw: | -2.9988 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.066 |
InChI Key: | MGXHCOHHPQGTAD-UHFFFAOYSA-N |