methyl N-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}glycinate
Chemical Structure Depiction of
methyl N-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}glycinate
methyl N-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}glycinate
Compound characteristics
| Compound ID: | C096-1488 |
| Compound Name: | methyl N-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}glycinate |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C27 H25 F N2 O5 |
| Smiles: | COC(CNC(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0745 |
| logD: | 3.0744 |
| logSw: | -3.4811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.459 |
| InChI Key: | XIVJWRFLYHRTJM-UHFFFAOYSA-N |