ethyl 1-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C096-1479 |
| Compound Name: | ethyl 1-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 544.62 |
| Molecular Formula: | C32 H33 F N2 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5931 |
| logD: | 4.5931 |
| logSw: | -4.3894 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.53 |
| InChI Key: | DJOYNPZURBJRJP-UHFFFAOYSA-N |