2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)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-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-1150 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C26 H25 N3 O6 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(COc3ccccc3[N+]([O-])=O)c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4443 |
| logD: | 3.4443 |
| logSw: | -4.0769 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.628 |
| InChI Key: | DHRFZVUHKHVDKL-HSZRJFAPSA-N |