{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{5-[2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{5-[2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{5-[2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | G637-1014 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{5-[2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone |
| Molecular Weight: | 596.68 |
| Molecular Formula: | C30 H33 F N4 O6 S |
| Smiles: | Cc1c(c(/C=C/c2ccccc2F)on1)S(N1CCC(CC1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3931 |
| logD: | 2.9247 |
| logSw: | -3.6871 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.769 |
| InChI Key: | IVFOEIUTARCNQP-UHFFFAOYSA-N |