4-(5-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2027-0219 |
| Compound Name: | 4-(5-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C21 H12 N2 O6 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)c1ccc(cc1)[N+]([O-])=O)=O)\c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.033 |
| logD: | 1.3052 |
| logSw: | -4.7052 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.19 |
| InChI Key: | GACQCEMDDWKFKH-UHFFFAOYSA-N |