2-cyano-3,3-bis{[(3-nitrophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis{[(3-nitrophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
2-cyano-3,3-bis{[(3-nitrophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K291-0235 |
| Compound Name: | 2-cyano-3,3-bis{[(3-nitrophenyl)methyl]sulfanyl}-N-phenylprop-2-enamide |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C24 H18 N4 O5 S2 |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC(=C(C#N)C(Nc1ccccc1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5577 |
| logD: | 5.5421 |
| logSw: | -5.79 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.877 |
| InChI Key: | PLDMKOQORNOEIL-UHFFFAOYSA-N |