3-{[2-(1'-propanoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid
Chemical Structure Depiction of
3-{[2-(1'-propanoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid
3-{[2-(1'-propanoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | SA90-0205 |
| Compound Name: | 3-{[2-(1'-propanoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C26 H30 N2 O5 |
| Smiles: | CCC(N1CCC2(CC1)c1ccccc1CC(CC(NCc1cccc(c1)C(O)=O)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9034 |
| logD: | -0.4579 |
| logSw: | -3.404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.543 |
| InChI Key: | YYPBEHSNPWQIJI-OAQYLSRUSA-N |