methyl 3-{2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamido}benzoate
methyl 3-{2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P099-0714 |
| Compound Name: | methyl 3-{2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CC1CCN(CC1)C(C1c2ccccc2CCN1CC(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1273 |
| logD: | 4.1267 |
| logSw: | -4.1974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.354 |
| InChI Key: | FDYMPLRLPIFMDQ-XMMPIXPASA-N |