3-(1-phenylpropan-2-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}imino)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
3-(1-phenylpropan-2-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}imino)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
3-(1-phenylpropan-2-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}imino)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 3772-9896 |
| Compound Name: | 3-(1-phenylpropan-2-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}imino)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 390.36 |
| Molecular Formula: | C19 H17 F3 N4 O2 |
| Smiles: | CC(Cc1ccccc1)[N+]1[C-]\C(=N/C(Nc2cccc(c2)C(F)(F)F)=O)ON=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9601 |
| logD: | 3.924 |
| logSw: | -4.1227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.759 |
| InChI Key: | VOYANECEGBXXJF-ZDUSSCGKSA-N |