ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-3811 |
| Compound Name: | ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C16 H15 N3 O5 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9842 |
| logD: | 1.9842 |
| logSw: | -2.49 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.828 |
| InChI Key: | OWNUPBHMJRSEAG-CQSZACIVSA-N |