5-{[4-(dimethylamino)phenyl]methylidene}-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
5-{[4-(dimethylamino)phenyl]methylidene}-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
5-{[4-(dimethylamino)phenyl]methylidene}-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0094 |
| Compound Name: | 5-{[4-(dimethylamino)phenyl]methylidene}-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C/c2ccc(cc2)N(C)C)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0375 |
| logD: | 5.0375 |
| logSw: | -4.8394 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.723 |
| InChI Key: | KATZXUVMHFTSOJ-SANMLTNESA-N |