2-ethoxy-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol
Chemical Structure Depiction of
2-ethoxy-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol
2-ethoxy-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol
Compound characteristics
| Compound ID: | K630-0079 |
| Compound Name: | 2-ethoxy-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C24 H23 N3 O5 |
| Smiles: | CCOc1cc(cc(CNc2cc(ccc2C)c2nc3ccc(C)cc3o2)c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7037 |
| logD: | 5.4946 |
| logSw: | -5.2812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.656 |
| InChI Key: | WVPMBHAFEWEORF-UHFFFAOYSA-N |