4-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-iodo-6-methoxyphenol
Chemical Structure Depiction of
4-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-iodo-6-methoxyphenol
4-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-iodo-6-methoxyphenol
Compound characteristics
| Compound ID: | K066-0052 |
| Compound Name: | 4-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-iodo-6-methoxyphenol |
| Molecular Weight: | 499.3 |
| Molecular Formula: | C20 H22 I N O6 |
| Smiles: | COc1cc(\C=N/c2ccc3c(c2)OCCOCCOCCO3)cc(c1O)I |
| Stereo: | ACHIRAL |
| logP: | 2.4907 |
| logD: | 2.4345 |
| logSw: | -2.4036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.447 |
| InChI Key: | GFEHWKVXOCSOPC-UHFFFAOYSA-N |