HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile · 4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
Identifiers & Physical Properties
| CAS No. | 5282-72-4 |
|---|---|
| Molecular formula | C20H22N2O3 |
| Average molar mass | 338.4 g/mol |
| Monoisotopic mass | 338.16304257 g/mol |
| SMILES | CCOc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 |
| InChIKey | DHFHPYAMOLEBRQ-UHFFFAOYSA-N |
| PubChem CID | 2839402 |
| DTXSID | DTXSID50385591 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 85.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 672 |