4-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4940-1093 |
| Compound Name: | 4-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 390.39 |
| Molecular Formula: | C22 H18 N2 O5 |
| Smiles: | CCCN1C(C(=C\c2ccc(c3ccc(cc3)C(O)=O)o2)\C(C)=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8272 |
| logD: | 0.0994 |
| logSw: | -3.9975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.41 |
| InChI Key: | VFPIHZHBUHSUJD-UHFFFAOYSA-N |