ethyl 4-[1-oxo-3-(pentafluoroanilino)-1,3-dihydro-2H-isoindol-2-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[1-oxo-3-(pentafluoroanilino)-1,3-dihydro-2H-isoindol-2-yl]piperidine-1-carboxylate
ethyl 4-[1-oxo-3-(pentafluoroanilino)-1,3-dihydro-2H-isoindol-2-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C429-0546 |
| Compound Name: | ethyl 4-[1-oxo-3-(pentafluoroanilino)-1,3-dihydro-2H-isoindol-2-yl]piperidine-1-carboxylate |
| Molecular Weight: | 469.41 |
| Molecular Formula: | C22 H20 F5 N3 O3 |
| Smiles: | CCOC(N1CCC(CC1)N1C(c2ccccc2C1=O)Nc1c(c(c(c(c1F)F)F)F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3556 |
| logD: | 4.3278 |
| logSw: | -4.186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.608 |
| InChI Key: | ZEAOMSPHXXECTH-FQEVSTJZSA-N |