4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5199 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 470.44 |
| Molecular Formula: | C20 H18 F4 N4 O3 S |
| Smiles: | CNC(C1CN(CCN1S(c1cccc(c1)F)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3343 |
| logD: | 2.3343 |
| logSw: | -3.0523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.506 |
| InChI Key: | UTTBKXCUILGVSQ-SFHVURJKSA-N |