2-amino-5-hydroxy-8-{[(4-methoxyphenyl)imino]methyl}-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-hydroxy-8-{[(4-methoxyphenyl)imino]methyl}-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
2-amino-5-hydroxy-8-{[(4-methoxyphenyl)imino]methyl}-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8005-2618 |
| Compound Name: | 2-amino-5-hydroxy-8-{[(4-methoxyphenyl)imino]methyl}-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C24 H18 N4 O5 |
| Smiles: | COc1ccc(cc1)/N=C\c1ccc(c2C(C(C#N)=C(N)Oc12)c1cccc(c1)[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8736 |
| logD: | 3.8735 |
| logSw: | -3.9962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.579 |
| InChI Key: | LUEAAPNNQZNVNX-OAQYLSRUSA-N |