1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]piperidine-4-carboxamide
1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G637-3700 |
| Compound Name: | 1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]piperidine-4-carboxamide |
| Molecular Weight: | 570.66 |
| Molecular Formula: | C29 H32 F2 N4 O4 S |
| Smiles: | Cc1c(c(/C=C/c2ccc(cc2F)F)on1)S(N1CCC(CC1)C(NCCN1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8086 |
| logD: | 3.3162 |
| logSw: | -3.8651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.364 |
| InChI Key: | JGRRMEQUJMSFTN-UHFFFAOYSA-N |