3-[(2-{1'-[(pyridin-3-yl)methyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl}acetamido)methyl]benzoic acid
Chemical Structure Depiction of
3-[(2-{1'-[(pyridin-3-yl)methyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl}acetamido)methyl]benzoic acid
3-[(2-{1'-[(pyridin-3-yl)methyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl}acetamido)methyl]benzoic acid
Compound characteristics
| Compound ID: | SA90-0203 |
| Compound Name: | 3-[(2-{1'-[(pyridin-3-yl)methyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl}acetamido)methyl]benzoic acid |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C29 H31 N3 O4 |
| Smiles: | C(C1Cc2ccccc2C2(CCN(CC2)Cc2cccnc2)O1)C(NCc1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1667 |
| logD: | 3.1667 |
| logSw: | -3.2869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.401 |
| InChI Key: | WOCKSKMQTMKWLH-RUZDIDTESA-N |