{2-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl}propanedinitrile
Chemical Structure Depiction of
{2-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl}propanedinitrile
{2-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl}propanedinitrile
Compound characteristics
| Compound ID: | 8008-8145 |
| Compound Name: | {2-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-3-oxo-3-phenylpropyl}propanedinitrile |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C25 H19 N3 O3 S |
| Smiles: | Cc1ccc(cc1)SC(C(C(C#N)C#N)c1cccc(c1)[N+]([O-])=O)C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2341 |
| logD: | 4.8228 |
| logSw: | -5.1908 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.928 |
| InChI Key: | OEYYIIQKGKVDPR-UHFFFAOYSA-N |