2-(4-methoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(4-methoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1544 |
| Compound Name: | 2-(4-methoxyphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C31 H33 N3 O3 |
| Smiles: | Cc1cccc(CN2CCC(CC2)CNC(C2=CN(C(c3ccccc23)=O)c2ccc(cc2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3633 |
| logD: | 1.8709 |
| logSw: | -4.3955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.444 |
| InChI Key: | VRQYXPOGYJLBML-UHFFFAOYSA-N |