5-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3229-1509 |
| Compound Name: | 5-{[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C18 H13 N3 O7 S2 |
| Smiles: | CCOc1cc(\C=C2/C(NC(=S)S2)=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.903 |
| logD: | 1.5519 |
| logSw: | -3.6593 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.493 |
| InChI Key: | UNBSZQSNUJHVJI-UHFFFAOYSA-N |