5-[(5-bromothiophen-2-yl)methylidene]-3-(3-methylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
5-[(5-bromothiophen-2-yl)methylidene]-3-(3-methylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
5-[(5-bromothiophen-2-yl)methylidene]-3-(3-methylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0082 |
| Compound Name: | 5-[(5-bromothiophen-2-yl)methylidene]-3-(3-methylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 519.39 |
| Molecular Formula: | C21 H15 Br N2 O5 S2 |
| Smiles: | Cc1cccc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C\c2ccc(s2)[Br])\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0337 |
| logD: | 5.0337 |
| logSw: | -4.8467 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.937 |
| InChI Key: | LKSMAXAUZBUQJN-OAQYLSRUSA-N |