3-{2-[(4-hydroxy-6-phenylpyrimidin-2-yl)oxy]acetamido}-5-nitrobenzoic acid
Chemical Structure Depiction of
3-{2-[(4-hydroxy-6-phenylpyrimidin-2-yl)oxy]acetamido}-5-nitrobenzoic acid
3-{2-[(4-hydroxy-6-phenylpyrimidin-2-yl)oxy]acetamido}-5-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8017-0716 |
| Compound Name: | 3-{2-[(4-hydroxy-6-phenylpyrimidin-2-yl)oxy]acetamido}-5-nitrobenzoic acid |
| Molecular Weight: | 410.34 |
| Molecular Formula: | C19 H14 N4 O7 |
| Smiles: | C(C(Nc1cc(cc(c1)[N+]([O-])=O)C(O)=O)=O)Oc1nc(cc(n1)O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8082 |
| logD: | 0.4972 |
| logSw: | -4.0411 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.764 |
| InChI Key: | XQADIMWKRKKESV-UHFFFAOYSA-N |