propyl 3-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
propyl 3-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
propyl 3-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4940-1089 |
| Compound Name: | propyl 3-{5-[(5-cyano-4-methyl-2,6-dioxo-1-propyl-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C25 H24 N2 O5 |
| Smiles: | CCCN1C(C(=C\c2ccc(c3cccc(c3)C(=O)OCCC)o2)\C(C)=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9378 |
| logD: | 4.9378 |
| logSw: | -4.6764 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.049 |
| InChI Key: | NWTIWKLFTHWLQS-UHFFFAOYSA-N |