1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0251 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]piperazine-2-carboxamide |
| Molecular Weight: | 487.44 |
| Molecular Formula: | C23 H20 F3 N5 O4 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(CN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5618 |
| logD: | 1.5618 |
| logSw: | -2.6756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.239 |
| InChI Key: | BURQKBMCSXAMEN-SFHVURJKSA-N |