5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 2699-0317 |
| Compound Name: | 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C29 H24 F N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)F)=O)c1ccccc1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0272 |
| logD: | 4.4279 |
| logSw: | -4.7265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.101 |
| InChI Key: | ULUHIJCVIGEBMD-MHZLTWQESA-N |