5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2150-0696 |
| Compound Name: | 5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C17 H11 N3 O7 S2 |
| Smiles: | COc1cc(/C=C2/C(NC(=S)S2)=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7574 |
| logD: | 1.4062 |
| logSw: | -3.5588 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.914 |
| InChI Key: | XOKYZMSXGFNSFX-UHFFFAOYSA-N |