N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1403 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 540.59 |
| Molecular Formula: | C32 H29 F N2 O5 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2ccc(c(c2)OC)OC)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8844 |
| logD: | 4.8825 |
| logSw: | -4.5995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.547 |
| InChI Key: | BMTCGDWEBYGUDY-UHFFFAOYSA-N |