2-bromo-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol
Chemical Structure Depiction of
2-bromo-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol
2-bromo-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol
Compound characteristics
| Compound ID: | K630-0082 |
| Compound Name: | 2-bromo-6-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]methyl}-4-nitrophenol |
| Molecular Weight: | 468.31 |
| Molecular Formula: | C22 H18 Br N3 O4 |
| Smiles: | Cc1ccc2c(c1)oc(c1ccc(C)c(c1)NCc1cc(cc(c1O)[Br])[N+]([O-])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.1476 |
| logD: | 5.1129 |
| logSw: | -5.3723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.446 |
| InChI Key: | RAPUECIJVJFVNW-UHFFFAOYSA-N |