tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-0295 |
| Compound Name: | tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 593.17 |
| Molecular Formula: | C32 H41 Cl N6 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccccc1[Cl])C(NCCN1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1322 |
| logD: | 6.1081 |
| logSw: | -5.8999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.34 |
| InChI Key: | PLFGUNRLUYDCRX-UHFFFAOYSA-N |