ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate
Chemical Structure Depiction of
ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate
ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate
Compound characteristics
| Compound ID: | 8013-3856 |
| Compound Name: | ethyl 3-(3-nitrophenyl)-3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]propanoate |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0919 |
| logD: | 3.0823 |
| logSw: | -3.5151 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.744 |
| InChI Key: | WVKJIRWVJKELSW-KRWDZBQOSA-N |