3-({2-[1'-(methoxyacetyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
3-({2-[1'-(methoxyacetyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
3-({2-[1'-(methoxyacetyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | SA90-0207 |
| Compound Name: | 3-({2-[1'-(methoxyacetyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C26 H30 N2 O6 |
| Smiles: | COCC(N1CCC2(CC1)c1ccccc1CC(CC(NCc1cccc(c1)C(O)=O)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8567 |
| logD: | -1.5046 |
| logSw: | -2.5647 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.967 |
| InChI Key: | KCCGRBCOSXZUHR-OAQYLSRUSA-N |