methyl 6-amino-5-cyano-2-methyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-2-methyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-2-methyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y508-8256 |
| Compound Name: | methyl 6-amino-5-cyano-2-methyl-4-{4-[(4-methylphenyl)methoxy]-3-nitrophenyl}-4H-pyran-3-carboxylate |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H21 N3 O6 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C)cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.305 |
| logD: | 3.305 |
| logSw: | -3.8672 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.261 |
| InChI Key: | METOZFYHBYNKDP-OAQYLSRUSA-N |