tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-1380 |
| Compound Name: | tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 586.78 |
| Molecular Formula: | C34 H46 N6 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(NCCN1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8432 |
| logD: | 6.8191 |
| logSw: | -5.4317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.641 |
| InChI Key: | KWBRLDBBVCVQDH-UHFFFAOYSA-N |