4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5122 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 475.43 |
| Molecular Formula: | C22 H20 F3 N5 O4 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)C(N)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.23 |
| logD: | 1.23 |
| logSw: | -2.3869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.534 |
| InChI Key: | ZMSAEQHQDRJRJP-KRWDZBQOSA-N |