[5-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Chemical Structure Depiction of
[5-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 3229-2138 |
| Compound Name: | [5-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 460.48 |
| Molecular Formula: | C20 H16 N2 O7 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)ccc1OCc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2844 |
| logD: | -0.8345 |
| logSw: | -2.5888 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.123 |
| InChI Key: | NBDQZRFGIPDWCV-UHFFFAOYSA-N |