tert-butyl 4-{4-[(4-chloro-3-nitrophenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{4-[(4-chloro-3-nitrophenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{4-[(4-chloro-3-nitrophenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5596 |
| Compound Name: | tert-butyl 4-{4-[(4-chloro-3-nitrophenyl)carbamoyl]-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 568.07 |
| Molecular Formula: | C29 H34 Cl N5 O5 |
| Smiles: | CC(C)c1ccc(cc1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.5621 |
| logD: | 7.0539 |
| logSw: | -6.5023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.315 |
| InChI Key: | KGRRCHQVAGRNME-UHFFFAOYSA-N |