4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y043-1499 |
| Compound Name: | 4-({2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C21 H24 F N3 O5 |
| Smiles: | COc1ccc(C2C=CC(N(CC(NC[C@H]3CC[C@@H](CC3)C(O)=O)=O)N=2)=O)c(c1)F |
| Stereo: | ACHIRAL |
| logP: | 1.9827 |
| logD: | -0.5776 |
| logSw: | -2.7948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.163 |
| InChI Key: | BXRNJIOTNGNJFI-UHFFFAOYSA-N |