2-[(2-methylprop-2-enoyl)oxy]ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
2-[(2-methylprop-2-enoyl)oxy]ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
2-[(2-methylprop-2-enoyl)oxy]ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 4561-0420 |
| Compound Name: | 2-[(2-methylprop-2-enoyl)oxy]ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | CC(=C)C(=O)OCCOC(C1C(C(C#N)=C(N)OC=1C)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1642 |
| logD: | 2.1642 |
| logSw: | -2.6043 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.17 |
| InChI Key: | SPJMOZVMXLENET-QGZVFWFLSA-N |