{2-[(4-methylphenyl)sulfanyl]-3-oxo-1,3-diphenylpropyl}propanedinitrile
Chemical Structure Depiction of
{2-[(4-methylphenyl)sulfanyl]-3-oxo-1,3-diphenylpropyl}propanedinitrile
{2-[(4-methylphenyl)sulfanyl]-3-oxo-1,3-diphenylpropyl}propanedinitrile
Compound characteristics
| Compound ID: | 8008-3525 |
| Compound Name: | {2-[(4-methylphenyl)sulfanyl]-3-oxo-1,3-diphenylpropyl}propanedinitrile |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C25 H20 N2 O S |
| Smiles: | Cc1ccc(cc1)SC(C(C(C#N)C#N)c1ccccc1)C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3672 |
| logD: | 4.9559 |
| logSw: | -5.5984 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.546 |
| InChI Key: | UHLJGOQBZSPDSD-UHFFFAOYSA-N |