4-{[(4-fluorophenyl)methyl][N-(propane-1-sulfonyl)-N-propylglycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{[(4-fluorophenyl)methyl][N-(propane-1-sulfonyl)-N-propylglycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
4-{[(4-fluorophenyl)methyl][N-(propane-1-sulfonyl)-N-propylglycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V001-3421 |
| Compound Name: | 4-{[(4-fluorophenyl)methyl][N-(propane-1-sulfonyl)-N-propylglycyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide |
| Molecular Weight: | 577.68 |
| Molecular Formula: | C27 H36 F N5 O6 S |
| Smiles: | CCCN(CC(N(Cc1ccc(cc1)F)C1CCN(CC1)C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O)S(CCC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8429 |
| logD: | 3.8428 |
| logSw: | -3.8192 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.345 |
| InChI Key: | GETJOJXFJVFBQI-UHFFFAOYSA-N |