1,1-dicyano-2-phenyl-3-[(2-phenylethyl)carbamoyl]-3-(pyridin-1-ium-1-yl)propan-1-ide
Chemical Structure Depiction of
1,1-dicyano-2-phenyl-3-[(2-phenylethyl)carbamoyl]-3-(pyridin-1-ium-1-yl)propan-1-ide
1,1-dicyano-2-phenyl-3-[(2-phenylethyl)carbamoyl]-3-(pyridin-1-ium-1-yl)propan-1-ide
Compound characteristics
| Compound ID: | 8007-1253 |
| Compound Name: | 1,1-dicyano-2-phenyl-3-[(2-phenylethyl)carbamoyl]-3-(pyridin-1-ium-1-yl)propan-1-ide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C25 H22 N4 O |
| Smiles: | C(CNC(C(C([C-](C#N)C#N)c1ccccc1)[n+]1ccccc1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4367 |
| logD: | 2.4367 |
| logSw: | -2.7215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.146 |
| InChI Key: | XYGIGVZQPKDWEH-UHFFFAOYSA-N |