1-(5-bromo-2-fluorophenyl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine
Chemical Structure Depiction of
1-(5-bromo-2-fluorophenyl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine
1-(5-bromo-2-fluorophenyl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine
Compound characteristics
| Compound ID: | K066-0046 |
| Compound Name: | 1-(5-bromo-2-fluorophenyl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine |
| Molecular Weight: | 424.26 |
| Molecular Formula: | C19 H19 Br F N O4 |
| Smiles: | C1COCCOc2cc(ccc2OCCO1)/N=C\c1cc(ccc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1872 |
| logD: | 3.1866 |
| logSw: | -3.2082 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.337 |
| InChI Key: | VNEVUHFFPRHAEP-UHFFFAOYSA-N |