methyl N-(2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-beta-alaninate
methyl N-(2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-beta-alaninate
Compound characteristics
Compound ID: | Y043-3763 |
Compound Name: | methyl N-(2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)-beta-alaninate |
Molecular Weight: | 366.42 |
Molecular Formula: | C21 H22 N2 O4 |
Smiles: | CN1C(C(C(NCCC(=O)OC)=O)c2ccccc2C1=O)c1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.5197 |
logD: | 1.5197 |
logSw: | -2.1159 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.794 |
InChI Key: | IGCOJMZOBNFNNE-UHFFFAOYSA-N |