3-(3,5-dimethylphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
3-(3,5-dimethylphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0121 |
| Compound Name: | 3-(3,5-dimethylphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C25 H22 N2 O5 S2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C/c2ccc(cc2)SC)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6668 |
| logD: | 5.6668 |
| logSw: | -5.5653 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.919 |
| InChI Key: | MLUPESJJOPNWDR-VWLOTQADSA-N |