methyl (2,6-diiodo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
methyl (2,6-diiodo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
methyl (2,6-diiodo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 2897-1052 |
| Compound Name: | methyl (2,6-diiodo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 662.17 |
| Molecular Formula: | C21 H16 I2 N2 O7 |
| Smiles: | COC(COc1c(cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=O)=O)cc1I)I)=O |
| Stereo: | ACHIRAL |
| logP: | 3.444 |
| logD: | 3.1409 |
| logSw: | -3.7921 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.186 |
| InChI Key: | IUGIUEJKVKVKGM-UHFFFAOYSA-N |