3-({3-[2-(cyclopentylamino)-2-oxoethyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-1'-yl}methyl)benzoic acid
Chemical Structure Depiction of
3-({3-[2-(cyclopentylamino)-2-oxoethyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-1'-yl}methyl)benzoic acid
3-({3-[2-(cyclopentylamino)-2-oxoethyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-1'-yl}methyl)benzoic acid
Compound characteristics
| Compound ID: | SA90-0058 |
| Compound Name: | 3-({3-[2-(cyclopentylamino)-2-oxoethyl]-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-1'-yl}methyl)benzoic acid |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C28 H34 N2 O4 |
| Smiles: | C1CCC(C1)NC(CC1Cc2ccccc2C2(CCN(CC2)Cc2cccc(c2)C(O)=O)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4905 |
| logD: | 4.4905 |
| logSw: | -4.2269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.975 |
| InChI Key: | DOOUXXKCLNTBOG-XMMPIXPASA-N |