ethyl 3-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
ethyl 3-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Compound characteristics
| Compound ID: | 8013-3844 |
| Compound Name: | ethyl 3-[(8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate |
| Molecular Weight: | 440.41 |
| Molecular Formula: | C22 H20 N2 O8 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(C1=Cc2cccc(c2OC1=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0407 |
| logD: | 3.0311 |
| logSw: | -3.4984 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.059 |
| InChI Key: | PKOQIOVAKQYPJR-KRWDZBQOSA-N |