1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5196 |
| Compound Name: | 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 460.41 |
| Molecular Formula: | C22 H19 F3 N4 O4 |
| Smiles: | CNC(C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1288 |
| logD: | 2.1288 |
| logSw: | -3.1147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.782 |
| InChI Key: | NZDXOFYVYZROBO-KRWDZBQOSA-N |