3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-hydroxy-2,6-bis(4-iodophenyl)-3,4-dihydro-2H-pyran-3-yl]-1-(4-iodophenyl)propan-1-one
Chemical Structure Depiction of
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-hydroxy-2,6-bis(4-iodophenyl)-3,4-dihydro-2H-pyran-3-yl]-1-(4-iodophenyl)propan-1-one
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-hydroxy-2,6-bis(4-iodophenyl)-3,4-dihydro-2H-pyran-3-yl]-1-(4-iodophenyl)propan-1-one
Compound characteristics
| Compound ID: | Y501-7638 |
| Compound Name: | 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-hydroxy-2,6-bis(4-iodophenyl)-3,4-dihydro-2H-pyran-3-yl]-1-(4-iodophenyl)propan-1-one |
| Molecular Weight: | 978.45 |
| Molecular Formula: | C38 H37 I3 N4 O3 |
| Smiles: | CCn1cc(C(CC(c2ccc(cc2)I)=O)C2C(C=C(c3ccc(cc3)I)OC2(c2ccc(cc2)I)O)c2cn(CC)nc2C)c(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.9335 |
| logD: | 9.9335 |
| logSw: | -5.747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.198 |
| InChI Key: | AADDZKAWRZOWBM-UHFFFAOYSA-N |