5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-1,3-thiazolidin-4-one
5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | Y500-5050 |
| Compound Name: | 5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-1,3-thiazolidin-4-one |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C27 H23 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1C)/N=C1/N(C(/C(=C/c2cc3c(cc2[Cl])OCO3)S1)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.0189 |
| logD: | 8.0189 |
| logSw: | -6.5965 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.368 |
| InChI Key: | ALLWQUYYRLTZPQ-UHFFFAOYSA-N |