3-[(4-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
3-[(4-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 4482-4124 |
| Compound Name: | 3-[(4-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C21 H17 N O7 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)ccc1OCc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2729 |
| logD: | -0.8461 |
| logSw: | -2.5894 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.451 |
| InChI Key: | DNYZIDJMCZIUSH-UHFFFAOYSA-N |