4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | C097-0153 |
| Compound Name: | 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]piperazine-1-carboxamide |
| Molecular Weight: | 423.39 |
| Molecular Formula: | C20 H20 F3 N3 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8074 |
| logD: | 3.5375 |
| logSw: | -4.1295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.603 |
| InChI Key: | MLKGHBQVXICKER-UHFFFAOYSA-N |