3-({2-[1'-(pyrimidin-2-yl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
3-({2-[1'-(pyrimidin-2-yl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
3-({2-[1'-(pyrimidin-2-yl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | SA90-0214 |
| Compound Name: | 3-({2-[1'-(pyrimidin-2-yl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | C(C1Cc2ccccc2C2(CCN(CC2)c2ncccn2)O1)C(NCc1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7001 |
| logD: | 0.3387 |
| logSw: | -3.9659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.966 |
| InChI Key: | JRZTUPFHQUDOIH-JOCHJYFZSA-N |