2-methylpropyl 2-chloro-5-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
2-methylpropyl 2-chloro-5-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
2-methylpropyl 2-chloro-5-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 5820-3196 |
| Compound Name: | 2-methylpropyl 2-chloro-5-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C26 H23 Cl N2 O5 |
| Smiles: | CC(C)COC(c1cc(ccc1[Cl])c1ccc(\C=C2/C(C)=C(C#N)C(N(CC=C)C2=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5326 |
| logD: | 5.5326 |
| logSw: | -5.9006 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.131 |
| InChI Key: | ZQPMRTULVCVUEM-UHFFFAOYSA-N |