tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-0298 |
| Compound Name: | tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 531.1 |
| Molecular Formula: | C27 H39 Cl N6 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccccc1[Cl])C(NCCN1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.315 |
| logD: | 3.6475 |
| logSw: | -4.482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.556 |
| InChI Key: | ILRCSXWXFYOUBX-UHFFFAOYSA-N |