1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5044 |
| Compound Name: | 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide |
| Molecular Weight: | 446.38 |
| Molecular Formula: | C21 H17 F3 N4 O4 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)C(N)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9322 |
| logD: | 1.9322 |
| logSw: | -2.7426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.005 |
| InChI Key: | PLSQTUDTJNFMSF-INIZCTEOSA-N |