4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol
Chemical Structure Depiction of
4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol
4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol
Compound characteristics
| Compound ID: | K630-0110 |
| Compound Name: | 4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol |
| Molecular Weight: | 439.31 |
| Molecular Formula: | C22 H19 Br N2 O3 |
| Smiles: | CCOc1ccc(cc1)c1nc2cc(ccc2o1)NCc1cc(ccc1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5497 |
| logD: | 5.5492 |
| logSw: | -5.3171 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.955 |
| InChI Key: | NJVNHWWHMYQINK-UHFFFAOYSA-N |