N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
Compound ID: | C096-0760 |
Compound Name: | N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
Molecular Weight: | 413.49 |
Molecular Formula: | C23 H28 F N3 O3 |
Smiles: | CN(C)CCNC(C1C(c2ccc(cc2)F)N(CCOC)C(c2ccccc12)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.9444 |
logD: | 0.247 |
logSw: | -2.7071 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.636 |
InChI Key: | AQSGOOFHJWXOPI-UHFFFAOYSA-N |