N-(2,3-dimethylphenyl)-4-{[N-(3-methylbutyl)-N-(propane-1-sulfonyl)glycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-4-{[N-(3-methylbutyl)-N-(propane-1-sulfonyl)glycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide
N-(2,3-dimethylphenyl)-4-{[N-(3-methylbutyl)-N-(propane-1-sulfonyl)glycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V010-8011 |
| Compound Name: | N-(2,3-dimethylphenyl)-4-{[N-(3-methylbutyl)-N-(propane-1-sulfonyl)glycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide |
| Molecular Weight: | 584.82 |
| Molecular Formula: | C32 H48 N4 O4 S |
| Smiles: | CCCS(N(CCC(C)C)CC(N(Cc1ccccc1C)C1CCN(CC1)C(Nc1cccc(C)c1C)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6725 |
| logD: | 6.6725 |
| logSw: | -5.711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.266 |
| InChI Key: | XBWUKUDVYRMIPS-UHFFFAOYSA-N |