4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-fluorobenzene-1-sulfonyl)-N,N-dimethylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-fluorobenzene-1-sulfonyl)-N,N-dimethylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-fluorobenzene-1-sulfonyl)-N,N-dimethylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5605 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-fluorobenzene-1-sulfonyl)-N,N-dimethylpiperazine-2-carboxamide |
| Molecular Weight: | 484.47 |
| Molecular Formula: | C21 H20 F4 N4 O3 S |
| Smiles: | CN(C)C(C1CN(CCN1S(c1ccccc1F)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.203 |
| logD: | 2.203 |
| logSw: | -2.9489 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.671 |
| InChI Key: | NUECPDQSICMHPV-SFHVURJKSA-N |