5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8014-4759 |
| Compound Name: | 5-cyano-4-(3-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}pyridine-3-carboxamide |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C32 H22 F N3 O4 S |
| Smiles: | Cc1ccccc1NC(c1c(c2cccc(c2)F)c(C#N)c(nc1C)SCC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8052 |
| logD: | 5.8043 |
| logSw: | -5.6317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.638 |
| InChI Key: | WXISQRPSOIGHCT-UHFFFAOYSA-N |