3-{[2-(1'-benzoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid
Chemical Structure Depiction of
3-{[2-(1'-benzoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid
3-{[2-(1'-benzoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | SA90-0209 |
| Compound Name: | 3-{[2-(1'-benzoyl-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl)acetamido]methyl}benzoic acid |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C30 H30 N2 O5 |
| Smiles: | C(C1Cc2ccccc2C2(CCN(CC2)C(c2ccccc2)=O)O1)C(NCc1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5864 |
| logD: | 0.225 |
| logSw: | -3.7307 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.799 |
| InChI Key: | ANZIWHCFAKOEKV-RUZDIDTESA-N |