2-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
Compound ID: | E456-0184 |
Compound Name: | 2-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
Molecular Weight: | 487.66 |
Molecular Formula: | C29 H33 N3 O2 S |
Smiles: | Cc1cccc(CN2CCC(CC2)CNC(C2C(c3cccs3)N(C)C(c3ccccc23)=O)=O)c1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.2815 |
logD: | 1.7892 |
logSw: | -4.2673 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.853 |
InChI Key: | KEVATEMXSRYOAY-UHFFFAOYSA-N |