5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0102 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H20 N2 O7 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C/c2ccc3c(c2)OCO3)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8443 |
| logD: | 4.8443 |
| logSw: | -4.8107 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.034 |
| InChI Key: | MRRTZUYGIGJPOG-VWLOTQADSA-N |