3-(dimethylamino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(dimethylamino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
3-(dimethylamino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 8009-9133 |
| Compound Name: | 3-(dimethylamino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C19 H16 N4 O5 S |
| Smiles: | CN(C)N1/C(=N/c2ccccc2)SC(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)\C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1061 |
| logD: | 3.1061 |
| logSw: | -3.6196 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.983 |
| InChI Key: | PYANXPRTNYHHQF-UHFFFAOYSA-N |