(5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 2151-0444 |
| Compound Name: | (5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C19 H13 N3 O9 S2 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4873 |
| logD: | -0.6317 |
| logSw: | -2.8216 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.111 |
| InChI Key: | BUSAXHUVRGDBIU-UHFFFAOYSA-N |