4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5428 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C22 H23 F3 N4 O3 S |
| Smiles: | Cc1ccsc1C(N1CCN(CC1C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9266 |
| logD: | 2.9266 |
| logSw: | -3.3002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.718 |
| InChI Key: | KAALEYZYXBVMMA-SFHVURJKSA-N |