2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenylpyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Chemical Structure Depiction of
2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenylpyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenylpyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
Compound characteristics
| Compound ID: | Y020-4197 |
| Compound Name: | 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenylpyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C26 H18 N6 O2 S |
| Smiles: | C(c1ccccc1)Sc1nc([nH]n1)N1C=Cc2c(cc3C(N(C=Cc3n2)c2ccccc2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.0083 |
| logD: | 3.9617 |
| logSw: | -4.3208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.284 |
| InChI Key: | KVWRPDUZXUVKTL-UHFFFAOYSA-N |