N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0730 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H25 F N2 O2 S |
| Smiles: | CC(C)CN1C(C(C(NCc2ccc(cc2)F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2754 |
| logD: | 4.2753 |
| logSw: | -4.2785 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.354 |
| InChI Key: | UVKMKSWONMUXET-UHFFFAOYSA-N |