5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione
Chemical Structure Depiction of
5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione
5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione
Compound characteristics
Compound ID: | 4228-1460 |
Compound Name: | 5-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione |
Molecular Weight: | 356.4 |
Molecular Formula: | C18 H16 N2 O4 S |
Smiles: | Cc1cc(/C=C2/C(N(C)C(=O)S2)=O)c(C)n1c1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 3.2801 |
logD: | 3.2801 |
logSw: | -3.3676 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.413 |
InChI Key: | JTFMOFYTKMMNLI-UHFFFAOYSA-N |