methyl 2-chloro-5-(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 2-chloro-5-(5-{[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
methyl 2-chloro-5-(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: | 4285-2753 |
| Compound Name: | methyl 2-chloro-5-(5-{[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 454.87 |
| Molecular Formula: | C23 H19 Cl N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(c(c3)C(=O)OC)[Cl])o2)C(N(CCCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2275 |
| logD: | 3.2275 |
| logSw: | -3.5813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.831 |
| InChI Key: | YZEXNPMMKNWXJM-UHFFFAOYSA-N |