4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V029-9168 |
| Compound Name: | 4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}-N-(4-nitrophenyl)piperidine-1-carboxamide |
| Molecular Weight: | 559.68 |
| Molecular Formula: | C27 H37 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCCN(CC(N(Cc1ccccc1C)C1CCN(CC1)C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O)S(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4207 |
| logD: | 4.4206 |
| logSw: | -4.0769 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.345 |
| InChI Key: | PDCPYVWIFBTRSM-UHFFFAOYSA-N |