N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C154-0018 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 414.88 |
| Molecular Formula: | C21 H16 Cl F N2 O2 S |
| Smiles: | CN1C(C(C(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9895 |
| logD: | 3.7448 |
| logSw: | -4.4324 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.798 |
| InChI Key: | PBQUCDLVNBNRDX-UHFFFAOYSA-N |