2-amino-5-hydroxy-8-{[(3-methoxyphenyl)imino]methyl}-4-(2-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-hydroxy-8-{[(3-methoxyphenyl)imino]methyl}-4-(2-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
2-amino-5-hydroxy-8-{[(3-methoxyphenyl)imino]methyl}-4-(2-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8005-2615 |
| Compound Name: | 2-amino-5-hydroxy-8-{[(3-methoxyphenyl)imino]methyl}-4-(2-nitrophenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C24 H18 N4 O5 |
| Smiles: | COc1cccc(c1)/N=C\c1ccc(c2c1OC(=C(C#N)[C@@H]2c1ccccc1[N+]([O-])=O)N)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9968 |
| logD: | 3.9967 |
| logSw: | -4.2168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.278 |
| InChI Key: | PZEBRVGNLLTSJU-OAQYLSRUSA-N |