3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | Y508-2568 |
| Compound Name: | 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C27 H23 N3 O5 S |
| Smiles: | CCc1ccc(cc1)/N=C1/N(C(/C(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)S1)=O)c1ccc(CC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7143 |
| logD: | 6.7143 |
| logSw: | -5.5998 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.449 |
| InChI Key: | XXKUVDFBLSZHMK-UHFFFAOYSA-N |