2-benzyl-8-[3-(ethylsulfanyl)-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-(ethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-benzyl-8-[3-(ethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Compound characteristics
| Compound ID: | Y020-4190 |
| Compound Name: | 2-benzyl-8-[3-(ethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione |
| Molecular Weight: | 430.49 |
| Molecular Formula: | C22 H18 N6 O2 S |
| Smiles: | CCSc1nc([nH]n1)N1C=Cc2c(cc3C(N(Cc4ccccc4)C=Cc3n2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1921 |
| logD: | 3.1608 |
| logSw: | -3.4275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.001 |
| InChI Key: | ZOKYHBAGCPBWDW-UHFFFAOYSA-N |