{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-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-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | G637-0590 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone |
| Molecular Weight: | 592.71 |
| Molecular Formula: | C31 H36 N4 O6 S |
| Smiles: | Cc1ccc(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7611 |
| logD: | 3.2928 |
| logSw: | -3.8855 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.769 |
| InChI Key: | XVUBMZQGKLKYLS-UHFFFAOYSA-N |