N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N-{1-[(phenylsulfanyl)acetyl]piperidin-4-yl}-N~2~-(propane-1-sulfonyl)glycinamide
Chemical Structure Depiction of
N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N-{1-[(phenylsulfanyl)acetyl]piperidin-4-yl}-N~2~-(propane-1-sulfonyl)glycinamide
N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N-{1-[(phenylsulfanyl)acetyl]piperidin-4-yl}-N~2~-(propane-1-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | V011-1907 |
| Compound Name: | N~2~-(3-methylbutyl)-N-[(2-methylphenyl)methyl]-N-{1-[(phenylsulfanyl)acetyl]piperidin-4-yl}-N~2~-(propane-1-sulfonyl)glycinamide |
| Molecular Weight: | 587.84 |
| Molecular Formula: | C31 H45 N3 O4 S2 |
| Smiles: | CCCS(N(CCC(C)C)CC(N(Cc1ccccc1C)C1CCN(CC1)C(CSc1ccccc1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7686 |
| logD: | 5.7686 |
| logSw: | -5.4275 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.615 |
| InChI Key: | MSYRZBRVWZAGGS-UHFFFAOYSA-N |