4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y206-5957 |
| Compound Name: | 4-[(4-tert-butylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(CN2CCN(CC2)C(Nc2cccc(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6408 |
| logD: | 4.0176 |
| logSw: | -4.3126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.63 |
| InChI Key: | CTFKKQHLMNAYDW-UHFFFAOYSA-N |