3-(3,5-dimethylphenyl)-5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
3-(3,5-dimethylphenyl)-5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0099 |
| Compound Name: | 3-(3,5-dimethylphenyl)-5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C27 H24 N2 O6 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C/C=C\c2ccccc2OC)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6244 |
| logD: | 5.6244 |
| logSw: | -5.475 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.549 |
| InChI Key: | NRWGNCDBOHSHDZ-MHZLTWQESA-N |