4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y043-1519 |
| Compound Name: | 4-({2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C22 H27 N3 O6 |
| Smiles: | COc1ccc(cc1OC)C1C=CC(N(CC(NC[C@H]2CC[C@@H](CC2)C(O)=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2593 |
| logD: | -1.3011 |
| logSw: | -2.0971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.88 |
| InChI Key: | HZICPWWKCSMTCD-UHFFFAOYSA-N |