tert-butyl 4-[4-{[(3-chlorophenyl)methyl]carbamoyl}-1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[(3-chlorophenyl)methyl]carbamoyl}-1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[(3-chlorophenyl)methyl]carbamoyl}-1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0813 |
| Compound Name: | tert-butyl 4-[4-{[(3-chlorophenyl)methyl]carbamoyl}-1-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 531 |
| Molecular Formula: | C27 H29 Cl F2 N4 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1F)F)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5929 |
| logD: | 6.5928 |
| logSw: | -6.1953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.256 |
| InChI Key: | HSEZXMGSUGDKCK-UHFFFAOYSA-N |