[5-({3-ethoxy-4-[(3-nitrobenzoyl)oxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({3-ethoxy-4-[(3-nitrobenzoyl)oxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({3-ethoxy-4-[(3-nitrobenzoyl)oxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 3358-3483 |
| Compound Name: | [5-({3-ethoxy-4-[(3-nitrobenzoyl)oxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 488.49 |
| Molecular Formula: | C21 H16 N2 O8 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)ccc1OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2782 |
| logD: | -0.8408 |
| logSw: | -2.7925 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.154 |
| InChI Key: | KBGZYKXDXKOLSY-UHFFFAOYSA-N |