5-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
5-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 3699-0146 |
| Compound Name: | 5-{2,5-dimethyl-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C18 H14 N2 O5 S2 |
| Smiles: | Cc1cc(\C=C2/C(NC(=S)S2)=O)c(C)n1c1cc(cc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3913 |
| logD: | -2.7186 |
| logSw: | -2.7252 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.381 |
| InChI Key: | FBLVKSVBGQBYOO-UHFFFAOYSA-N |