tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
Compound ID: | E955-1339 |
Compound Name: | tert-butyl 4-{4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate |
Molecular Weight: | 509.54 |
Molecular Formula: | C26 H28 F N5 O5 |
Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccccc1)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.7872 |
logD: | 5.279 |
logSw: | -5.4033 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.315 |
InChI Key: | XYUKYFYOVGQEMM-UHFFFAOYSA-N |