N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1466 |
| Compound Name: | N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 524.59 |
| Molecular Formula: | C32 H29 F N2 O4 |
| Smiles: | CCOc1ccc(cc1)NC(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7184 |
| logD: | 5.7182 |
| logSw: | -5.5282 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.41 |
| InChI Key: | SSMCGWITZBHZKB-UHFFFAOYSA-N |