3-({2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
3-({2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
3-({2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | SA90-0216 |
| Compound Name: | 3-({2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C25 H30 N2 O6 S |
| Smiles: | CCS(N1CCC2(CC1)c1ccccc1CC(CC(NCc1cccc(c1)C(O)=O)=O)O2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8635 |
| logD: | -0.4978 |
| logSw: | -3.5242 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.028 |
| InChI Key: | FXCHLNSZVHYVTF-OAQYLSRUSA-N |