5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 2151-0387 |
| Compound Name: | 5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 416.37 |
| Molecular Formula: | C17 H12 N4 O7 S |
| Smiles: | COc1ccc(/C=C2/C(NC(N2)=S)=O)cc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9673 |
| logD: | 2.9465 |
| logSw: | -3.6861 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.308 |
| InChI Key: | WTKJITRLCOXKQI-UHFFFAOYSA-N |