2-amino-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-4-(propan-2-yl)pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-4-(propan-2-yl)pyridine-3,5-dicarbonitrile
2-amino-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-4-(propan-2-yl)pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8012-7736 |
| Compound Name: | 2-amino-6-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-4-(propan-2-yl)pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | CC(C)c1c(C#N)c(N)nc(c1C#N)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.197 |
| logD: | 3.197 |
| logSw: | -3.784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.692 |
| InChI Key: | HHCAFATZJAYVMW-UHFFFAOYSA-N |