N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G637-3469 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide |
| Molecular Weight: | 545.56 |
| Molecular Formula: | C26 H25 F2 N3 O6 S |
| Smiles: | Cc1c(c(/C=C/c2ccc(cc2F)F)on1)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.353 |
| logD: | 3.353 |
| logSw: | -3.458 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.994 |
| InChI Key: | PDJAPCZOIXCQJA-UHFFFAOYSA-N |