4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5477 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 463.46 |
| Molecular Formula: | C22 H24 F3 N5 O3 |
| Smiles: | Cn1cccc1C(N1CCN(CC1C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4824 |
| logD: | 2.4824 |
| logSw: | -3.0718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.116 |
| InChI Key: | XPAIACQKHBQUBU-IBGZPJMESA-N |