4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5180 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 436.45 |
| Molecular Formula: | C20 H19 F3 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1CCN(CC1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5871 |
| logD: | 2.5871 |
| logSw: | -3.0308 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.684 |
| InChI Key: | XBKMZZPUMPGDBC-INIZCTEOSA-N |