ethyl 2-[(naphthalen-1-yl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(naphthalen-1-yl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-[(naphthalen-1-yl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0036 |
| Compound Name: | ethyl 2-[(naphthalen-1-yl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H18 N2 O5 S |
| Smiles: | CCOC(C1=C(Nc2cccc3ccccc23)SC(=C/c2ccc(cc2)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7365 |
| logD: | 5.6798 |
| logSw: | -6.5607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.529 |
| InChI Key: | XYZRQGMWCWQDSS-ZHZULCJRSA-N |