N-(5-tert-butyl-2-methoxyphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-2-methoxyphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(5-tert-butyl-2-methoxyphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5542-0233 |
| Compound Name: | N-(5-tert-butyl-2-methoxyphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C25 H26 F N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(c(c1)NC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1F)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4967 |
| logD: | 4.4579 |
| logSw: | -4.3347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.997 |
| InChI Key: | DCUPPLMIMFBUKM-QGZVFWFLSA-N |