5-bromo-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
5-bromo-2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid
5-bromo-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: | 4338-1167 |
| Compound Name: | 5-bromo-2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 441.24 |
| Molecular Formula: | C20 H13 Br N2 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3C(O)=O)[Br])o2)C(N(C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5436 |
| logD: | -0.6355 |
| logSw: | -3.6422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.197 |
| InChI Key: | BMDUBXCSLYNDOA-UHFFFAOYSA-N |