4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V001-3002 |
| Compound Name: | 4-{[(3-chlorophenyl)methyl][N-(2-methoxyethyl)-N-(propane-1-sulfonyl)glycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide |
| Molecular Weight: | 610.13 |
| Molecular Formula: | C27 H36 Cl N5 O7 S |
| Smiles: | CCCS(N(CCOC)CC(N(Cc1cccc(c1)[Cl])C1CCN(CC1)C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5731 |
| logD: | 3.573 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.687 |
| InChI Key: | FFOABLBIZBNNIH-UHFFFAOYSA-N |