ethyl 2-amino-4-(3-iodophenyl)-5-oxo-4H,5H-pyrano[2,3-b][1]benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(3-iodophenyl)-5-oxo-4H,5H-pyrano[2,3-b][1]benzopyran-3-carboxylate
ethyl 2-amino-4-(3-iodophenyl)-5-oxo-4H,5H-pyrano[2,3-b][1]benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 6049-0977 |
| Compound Name: | ethyl 2-amino-4-(3-iodophenyl)-5-oxo-4H,5H-pyrano[2,3-b][1]benzopyran-3-carboxylate |
| Molecular Weight: | 489.26 |
| Molecular Formula: | C21 H16 I N O5 |
| Smiles: | CCOC(C1C(C2=C(OC=1N)Oc1ccccc1C2=O)c1cccc(c1)I)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0622 |
| logD: | 4.0622 |
| logSw: | -4.4243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.747 |
| InChI Key: | ZGRXSRIJDPBLDM-OAHLLOKOSA-N |