1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0442 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C18 H23 F3 N4 O4 S |
| Smiles: | CCS(N1CCN(C(C1)C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2791 |
| logD: | 1.2791 |
| logSw: | -2.5644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.928 |
| InChI Key: | JPNSRQUKPGWDJX-INIZCTEOSA-N |