1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-ethoxybenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-ethoxybenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-ethoxybenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0288 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(4-ethoxybenzene-1-sulfonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 496.51 |
| Molecular Formula: | C22 H23 F3 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N1CCN(C(C1)C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6546 |
| logD: | 2.6546 |
| logSw: | -3.2427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.852 |
| InChI Key: | HYJUBCPYIAXWOU-FQEVSTJZSA-N |