2-amino-4-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1217 |
| Compound Name: | 2-amino-4-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C24 H19 Br N2 O4 |
| Smiles: | COc1cc(C2C(C#N)=C(N)Oc3cc(ccc23)O)c(cc1OCc1ccccc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7393 |
| logD: | 3.739 |
| logSw: | -4.351 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.855 |
| InChI Key: | LJANDAHFNXMKBU-QHCPKHFHSA-N |