4-({2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y043-1852 |
| Compound Name: | 4-({2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 403.86 |
| Molecular Formula: | C20 H22 Cl N3 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1CNC(CN1C(C=CC(c2ccc(cc2)[Cl])=N1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2733 |
| logD: | -0.2871 |
| logSw: | -3.2552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.619 |
| InChI Key: | WSIURMSQJFOLFO-UHFFFAOYSA-N |