2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 6049-2258 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 435.39 |
| Molecular Formula: | C21 H17 N5 O6 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(Cn3cc(cn3)[N+]([O-])=O)c2)OC)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3904 |
| logD: | 1.3904 |
| logSw: | -2.2703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.406 |
| InChI Key: | VGPORZABPUCFFS-GOSISDBHSA-N |