4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5098 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 405.38 |
| Molecular Formula: | C19 H18 F3 N5 O2 |
| Smiles: | Cn1cccc1C(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9464 |
| logD: | 1.9464 |
| logSw: | -2.722 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.306 |
| InChI Key: | YAUSHFOXNBILRS-INIZCTEOSA-N |