2-amino-4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6816 |
| Compound Name: | 2-amino-4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C23 H18 Cl N3 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)[N+]([O-])=O)OCc2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5587 |
| logD: | 3.5587 |
| logSw: | -4.5032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.997 |
| InChI Key: | RXUIOUUWWLAYKE-OAQYLSRUSA-N |