5-(3-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(3-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
5-(3-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 4764-4021 |
| Compound Name: | 5-(3-{[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C19 H15 Cl N2 O5 S2 |
| Smiles: | Cc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c(C)n1c1ccc(c(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3146 |
| logD: | -3.2352 |
| logSw: | -3.1377 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.171 |
| InChI Key: | GWRXLKWIIBAVNI-UHFFFAOYSA-N |