4-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonic acid
Chemical Structure Depiction of
4-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonic acid
4-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 4995-0119 |
| Compound Name: | 4-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonic acid |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C18 H12 N2 O6 S |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)S(O)(=O)=O)o2)C(N=C(C=1C#N)O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.385 |
| logD: | -14.0849 |
| logSw: | -2.0097 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.087 |
| InChI Key: | VWJXFRIOSOZKEU-UHFFFAOYSA-N |