3-(3,4-dimethoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
3-(3,4-dimethoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | K205-1749 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C18 H16 N2 O7 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2cc3c(cc2[N+]([O-])=O)OCO3)SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5921 |
| logD: | 2.5921 |
| logSw: | -3.1515 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.59 |
| InChI Key: | AROUGYYOVVALJJ-SFHVURJKSA-N |