3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-(3-phenylprop-2-en-1-ylidene)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-(3-phenylprop-2-en-1-ylidene)-1lambda~6~,3-thiazolidine-1,1,4-trione
3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-(3-phenylprop-2-en-1-ylidene)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0108 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-(3-phenylprop-2-en-1-ylidene)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C26 H22 N2 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C/C=C\c2ccccc2)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.631 |
| logD: | 5.631 |
| logSw: | -5.5055 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.919 |
| InChI Key: | NDIQPUHXXCTKMD-SANMLTNESA-N |