N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G637-0734 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C30 H36 N4 O4 S |
| Smiles: | Cc1ccc(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(NCCN2CCc3ccccc3C2)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0293 |
| logD: | 3.5368 |
| logSw: | -3.9183 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.364 |
| InChI Key: | QLLFFFAZPUCIEA-UHFFFAOYSA-N |