2-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methyl}-6-ethoxyphenol
Chemical Structure Depiction of
2-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methyl}-6-ethoxyphenol
2-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methyl}-6-ethoxyphenol
Compound characteristics
| Compound ID: | K630-0097 |
| Compound Name: | 2-{[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methyl}-6-ethoxyphenol |
| Molecular Weight: | 408.88 |
| Molecular Formula: | C23 H21 Cl N2 O3 |
| Smiles: | CCOc1cccc(CNc2cc(ccc2C)c2nc3cc(ccc3o2)[Cl])c1O |
| Stereo: | ACHIRAL |
| logP: | 6.0965 |
| logD: | 6.0961 |
| logSw: | -5.9694 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.275 |
| InChI Key: | XSRAGCIGFGKGTD-UHFFFAOYSA-N |