N-(4-bromo-2-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(4-bromo-2-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C154-0037 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C22 H19 Br N2 O2 S |
| Smiles: | Cc1cc(ccc1NC(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3762 |
| logD: | 4.3687 |
| logSw: | -4.3357 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.1 |
| InChI Key: | WUNXVWFWIVYJPN-UHFFFAOYSA-N |