5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-hydroxybenzoic acid
Chemical Structure Depiction of
5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-hydroxybenzoic acid
5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-hydroxybenzoic acid
Compound characteristics
| Compound ID: | K066-0073 |
| Compound Name: | 5-{[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl}-2-hydroxybenzoic acid |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C20 H21 N O7 |
| Smiles: | C1COCCOc2cc(ccc2OCCO1)/N=C\c1ccc(c(c1)C(O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.3729 |
| logD: | -1.6365 |
| logSw: | -2.6132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.293 |
| InChI Key: | AMJNLZSWWMMGMA-UHFFFAOYSA-N |