(8-methyl-3-[(2-methylphenyl)carbamoyl]-2-{[3-(methylsulfanyl)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl)methyl acetate
Chemical Structure Depiction of
(8-methyl-3-[(2-methylphenyl)carbamoyl]-2-{[3-(methylsulfanyl)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl)methyl acetate
(8-methyl-3-[(2-methylphenyl)carbamoyl]-2-{[3-(methylsulfanyl)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl)methyl acetate
Compound characteristics
| Compound ID: | K227-0901 |
| Compound Name: | (8-methyl-3-[(2-methylphenyl)carbamoyl]-2-{[3-(methylsulfanyl)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl)methyl acetate |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | CC(=O)OCc1cnc(C)c2c1C=C(/C(=N/c1cccc(c1)SC)O2)C(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3171 |
| logD: | 4.317 |
| logSw: | -4.3 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.968 |
| InChI Key: | JEQOPSKUDHEFDD-UHFFFAOYSA-N |