3-(5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
3-(5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Compound characteristics
| Compound ID: | C370-3262 |
| Compound Name: | 3-(5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid |
| Molecular Weight: | 485.92 |
| Molecular Formula: | C21 H12 Cl N3 O5 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)c1cccc(c1)C(O)=O)=O)\c1cccn1c1cc(ccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2622 |
| logD: | 2.5727 |
| logSw: | -5.4928 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.849 |
| InChI Key: | QTPIIQWIZZPRJD-UHFFFAOYSA-N |