2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0350 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C23 H23 N5 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(Cn3cc(cn3)[N+]([O-])=O)c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1048 |
| logD: | 2.1048 |
| logSw: | -2.8674 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.12 |
| InChI Key: | CWNGRUIWSCTOQS-HXUWFJFHSA-N |