ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0343 |
| Compound Name: | ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 529.55 |
| Molecular Formula: | C28 H27 N5 O6 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1c1ccccc1)c1ccc(c(Cn2c(C)c(c(C)n2)[N+]([O-])=O)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5516 |
| logD: | 3.5516 |
| logSw: | -3.9933 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.819 |
| InChI Key: | PLVLCGQGCVUGFQ-HSZRJFAPSA-N |