2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6722 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C24 H21 N3 O6 |
| Smiles: | COc1cc(ccc1OCc1ccc(cc1)[N+]([O-])=O)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8829 |
| logD: | 2.8829 |
| logSw: | -3.5981 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.928 |
| InChI Key: | YLEMRCJEBOZSRP-JOCHJYFZSA-N |