2-hydroxy-5-{[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)imino]methyl}benzoic acid
Chemical Structure Depiction of
2-hydroxy-5-{[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)imino]methyl}benzoic acid
2-hydroxy-5-{[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)imino]methyl}benzoic acid
Compound characteristics
| Compound ID: | K066-0074 |
| Compound Name: | 2-hydroxy-5-{[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)imino]methyl}benzoic acid |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C22 H25 N O8 |
| Smiles: | C1COCCOc2ccc(cc2OCCOCCO1)/N=C\c1ccc(c(c1)C(O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.198 |
| logD: | -1.8114 |
| logSw: | -2.5506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.202 |
| InChI Key: | VAXDIASAJRNQEL-UHFFFAOYSA-N |