2-amino-7,7-dimethyl-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-8251 |
| Compound Name: | 2-amino-7,7-dimethyl-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C23 H21 N3 O6 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(COc3ccccc3[N+]([O-])=O)o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1873 |
| logD: | 3.1873 |
| logSw: | -3.8558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.838 |
| InChI Key: | WQCNNCWEEWKJER-FQEVSTJZSA-N |