2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1213 |
| Compound Name: | 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C24 H20 N2 O4 |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4532 |
| logD: | 3.4529 |
| logSw: | -3.8696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.855 |
| InChI Key: | FDDRSGZAHZCFIH-HSZRJFAPSA-N |