4-({2-[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
4-({2-[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | Y043-1866 |
| Compound Name: | 4-({2-[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C20 H16 Br N3 O4 |
| Smiles: | C(c1ccc(cc1)C(O)=O)NC(CN1C(C=CC(c2ccc(cc2)[Br])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2727 |
| logD: | 0.3013 |
| logSw: | -3.2448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.427 |
| InChI Key: | CJPFPOQKPQJINY-UHFFFAOYSA-N |