methyl 4-({3-[(2-methylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(2-methylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
methyl 4-({3-[(2-methylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | 8003-3233 |
| Compound Name: | methyl 4-({3-[(2-methylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C20 H18 N2 O3 S2 |
| Smiles: | Cc1ccccc1NCN1C(/C(=C/c2ccc(cc2)C(=O)OC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4129 |
| logD: | 4.4129 |
| logSw: | -4.3612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | FJIYHJAIRPFUEM-UHFFFAOYSA-N |