N-(2-chloro-4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2-chloro-4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0701 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C24 H22 Cl F N2 O2 S |
| Smiles: | CC(C)CN1C(C(C(Nc2ccc(cc2[Cl])F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5505 |
| logD: | 5.3031 |
| logSw: | -5.8056 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.334 |
| InChI Key: | WSEQOOMAPJMQLG-UHFFFAOYSA-N |