methyl 4-(5-{[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
methyl 4-(5-{[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4285-2761 |
| Compound Name: | methyl 4-(5-{[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C23 H20 N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)C(=O)OC)o2)C(N(CCCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7602 |
| logD: | 2.7602 |
| logSw: | -2.7021 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.831 |
| InChI Key: | ZZHAJMDSPBZDJH-UHFFFAOYSA-N |