2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1437 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C31 H34 F N3 O4 |
| Smiles: | COc1ccc(cc1)C1C(C(NCCCN2CCOCC2)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2126 |
| logD: | 2.7891 |
| logSw: | -3.4958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.341 |
| InChI Key: | LEDBDYAGLMCHAP-UHFFFAOYSA-N |