methyl 6-amino-5-cyano-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 6773-1569 |
| Compound Name: | methyl 6-amino-5-cyano-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 483.44 |
| Molecular Formula: | C22 H21 N5 O8 |
| Smiles: | COC(CC1=C(C(C(C#N)=C(N)O1)c1ccc(c(Cn2cc(cn2)[N+]([O-])=O)c1)OC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0051 |
| logD: | 1.0051 |
| logSw: | -2.2628 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 144.157 |
| InChI Key: | NCGMEKLRNFGWTP-LJQANCHMSA-N |