5-[(5-bromothiophen-2-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
5-[(5-bromothiophen-2-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
5-[(5-bromothiophen-2-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0035 |
| Compound Name: | 5-[(5-bromothiophen-2-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 549.42 |
| Molecular Formula: | C22 H17 Br N2 O6 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C\c2ccc(s2)[Br])\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8891 |
| logD: | 4.8891 |
| logSw: | -4.6816 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.061 |
| InChI Key: | OOBAVDKGIKJFKX-JOCHJYFZSA-N |