N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | C097-0314 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 540.8 |
| Molecular Formula: | C20 H15 Cl F6 N4 O5 |
| Smiles: | C1CN(CCN1C(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2763 |
| logD: | 4.928 |
| logSw: | -6.0333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.839 |
| InChI Key: | YJTFOFHJTGMRNH-FQEVSTJZSA-N |