tert-butyl 4-{1-(3-chloro-2-methylphenyl)-4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(3-chloro-2-methylphenyl)-4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(3-chloro-2-methylphenyl)-4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-2191 |
| Compound Name: | tert-butyl 4-{1-(3-chloro-2-methylphenyl)-4-[(4-fluoro-3-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 558.01 |
| Molecular Formula: | C27 H29 Cl F N5 O5 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.941 |
| logD: | 6.4328 |
| logSw: | -6.3564 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.014 |
| InChI Key: | NVEPKGDAOBOXKP-UHFFFAOYSA-N |