(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
Compound characteristics
| Compound ID: | 2897-1023 |
| Compound Name: | (4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,6-diiodophenoxy)acetic acid |
| Molecular Weight: | 646.18 |
| Molecular Formula: | C21 H16 I2 N2 O6 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2cc(c(c(c2)I)OCC(O)=O)I)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4326 |
| logD: | 0.1957 |
| logSw: | -4.263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.447 |
| InChI Key: | XDZURLVJQIQCCJ-UHFFFAOYSA-N |