N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0989 |
| Compound Name: | N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 515.72 |
| Molecular Formula: | C31 H37 N3 O2 S |
| Smiles: | CC(C)CN1C(C(C(Nc2ccc(CN3CCC(C)CC3)cc2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6582 |
| logD: | 4.2085 |
| logSw: | -5.4036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.765 |
| InChI Key: | SOBKELACTROAIH-UHFFFAOYSA-N |