5-cyano-2-methyl-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-N,4-diphenylpyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-2-methyl-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-N,4-diphenylpyridine-3-carboxamide
5-cyano-2-methyl-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-N,4-diphenylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | 2188-0854 |
| Compound Name: | 5-cyano-2-methyl-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-N,4-diphenylpyridine-3-carboxamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C31 H21 N3 O4 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)c(c2ccccc2)c(C#N)c(n1)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6171 |
| logD: | 5.6166 |
| logSw: | -5.6628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.336 |
| InChI Key: | IBHPECLFOCVGAS-UHFFFAOYSA-N |