N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N~2~-(propane-1-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N~2~-(propane-1-sulfonyl)glycinamide
N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N~2~-(propane-1-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | V001-3012 |
| Compound Name: | N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N~2~-(propane-1-sulfonyl)glycinamide |
| Molecular Weight: | 585.76 |
| Molecular Formula: | C31 H43 N3 O6 S |
| Smiles: | CCCS(N(CCC(C)C)CC(N(Cc1ccccc1C)C1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.124 |
| logD: | 5.124 |
| logSw: | -5.0299 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.258 |
| InChI Key: | SBAXXFLDHKPAKD-UHFFFAOYSA-N |