4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-methylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-methylpiperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-methylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0280 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-methylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 489.45 |
| Molecular Formula: | C23 H22 F3 N5 O4 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.47 |
| logD: | 1.47 |
| logSw: | -2.4231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.31 |
| InChI Key: | CEFBHMKCUUPJEG-SFHVURJKSA-N |