4-(1H-benzimidazole-5-carbonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-(1H-benzimidazole-5-carbonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
4-(1H-benzimidazole-5-carbonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0227 |
| Compound Name: | 4-(1H-benzimidazole-5-carbonyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 456.43 |
| Molecular Formula: | C22 H19 F3 N6 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc2c(c1)nc[nH]2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2751 |
| logD: | 1.2672 |
| logSw: | -2.3094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.196 |
| InChI Key: | TWBKDEXXILFMGL-IBGZPJMESA-N |