4-({2,6-diiodo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2,6-diiodo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2,6-diiodo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2897-0953 |
| Compound Name: | 4-({2,6-diiodo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 632.15 |
| Molecular Formula: | C20 H14 I2 N2 O6 |
| Smiles: | CN1C(C(=C\c2cc(c(c(c2)I)OCc2ccc(cc2)C(O)=O)I)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4325 |
| logD: | 1.461 |
| logSw: | -4.4971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.849 |
| InChI Key: | AAYQFHUZUOJSSC-UHFFFAOYSA-N |