methyl 4-({3-[(2-methoxyanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(2-methoxyanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
methyl 4-({3-[(2-methoxyanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | 8001-2424 |
| Compound Name: | methyl 4-({3-[(2-methoxyanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)benzoate |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C20 H18 N2 O4 S2 |
| Smiles: | COC(c1ccc(/C=C2/C(N(CNc3ccccc3OC)C(=S)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1626 |
| logD: | 4.1626 |
| logSw: | -4.3905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.708 |
| InChI Key: | NAFHHAOSIHXWQW-BOPFTXTBSA-N |