5-{[3-(2-hydroxyethoxy)phenyl]methylidene}-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-{[3-(2-hydroxyethoxy)phenyl]methylidene}-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
5-{[3-(2-hydroxyethoxy)phenyl]methylidene}-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | V014-8959 |
| Compound Name: | 5-{[3-(2-hydroxyethoxy)phenyl]methylidene}-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | Cc1cc(ccc1N1C(/C(=C\c2cccc(c2)OCCO)N(C)C1=S)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6748 |
| logD: | 2.6748 |
| logSw: | -2.8304 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.455 |
| InChI Key: | PBKAIGHOCSNBSW-UHFFFAOYSA-N |