propan-2-yl 4-(5-{[5-cyano-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(5-{[5-cyano-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
propan-2-yl 4-(5-{[5-cyano-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4940-1087 |
| Compound Name: | propan-2-yl 4-(5-{[5-cyano-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 448.47 |
| Molecular Formula: | C25 H24 N2 O6 |
| Smiles: | CC(CN1C(C(=C\c2ccc(c3ccc(cc3)C(=O)OC(C)C)o2)\C(C)=C(C#N)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4078 |
| logD: | 3.4078 |
| logSw: | -3.3388 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.934 |
| InChI Key: | GBMPAQNWYHEWOZ-HNNXBMFYSA-N |