2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1413 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 570.62 |
| Molecular Formula: | C33 H31 F N2 O6 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2cc(c(c(c2)OC)OC)OC)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.73 |
| logD: | 4.7123 |
| logSw: | -4.5412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.264 |
| InChI Key: | LXWBOVODIBHTCK-UHFFFAOYSA-N |