2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4838-0070 |
| Compound Name: | 2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C20 H14 N2 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3ccccc3C(O)=O)o2)C(N(C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.241 |
| logD: | -1.8119 |
| logSw: | -2.3846 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.197 |
| InChI Key: | YCXKNULLKMHWFX-UHFFFAOYSA-N |