methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4554-6329 |
| Compound Name: | methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C25 H24 F N3 O4 S |
| Smiles: | CCOc1ccccc1C1C(C#N)=C(NC(C)=C1C(=O)OC)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.507 |
| logD: | 1.5364 |
| logSw: | -4.2709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.364 |
| InChI Key: | RMCHSOPBYNVQFX-QHCPKHFHSA-N |