[5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 3229-2377 |
| Compound Name: | [5-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C21 H18 N2 O7 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4568 |
| logD: | -0.6622 |
| logSw: | -2.6513 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.004 |
| InChI Key: | PZZOQUVGDLTMDU-UHFFFAOYSA-N |