2-methylpropyl 2-chloro-5-(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
2-methylpropyl 2-chloro-5-(5-{[5-cyano-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
2-methylpropyl 2-chloro-5-(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: | 5820-3186 |
| Compound Name: | 2-methylpropyl 2-chloro-5-(5-{[5-cyano-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 496.95 |
| Molecular Formula: | C26 H25 Cl N2 O6 |
| Smiles: | CC(C)COC(c1cc(ccc1[Cl])c1ccc(\C=C2/C(C)=C(C#N)C(N(CC(C)O)C2=O)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5673 |
| logD: | 4.5673 |
| logSw: | -4.5131 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.63 |
| InChI Key: | IYKCCTPORPMFMZ-HNNXBMFYSA-N |