4-{[3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
4-{[3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 2534-6504 |
| Compound Name: | 4-{[3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C18 H11 N3 O6 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)NC(c1ccccc1[N+]([O-])=O)=O)=O)\c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5668 |
| logD: | -1.04 |
| logSw: | -3.0874 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.332 |
| InChI Key: | MTLOMBURWFELES-UHFFFAOYSA-N |