tert-butyl 4-{1-(2,4-dimethylphenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(2,4-dimethylphenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(2,4-dimethylphenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-2332 |
| Compound Name: | tert-butyl 4-{1-(2,4-dimethylphenyl)-4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 537.59 |
| Molecular Formula: | C28 H32 F N5 O5 |
| Smiles: | Cc1ccc(c(C)c1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1cc(ccc1F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2882 |
| logD: | 6.7174 |
| logSw: | -5.4495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.617 |
| InChI Key: | ISSWUGNUEOZPSK-UHFFFAOYSA-N |