2-methoxyethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
2-methoxyethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-4550 |
| Compound Name: | 2-methoxyethyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C19 H20 N2 O7 |
| Smiles: | COCCOC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2926 |
| logD: | 1.2926 |
| logSw: | -2.1111 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.318 |
| InChI Key: | XHJVQLHQZBWZMR-OAHLLOKOSA-N |