tert-butyl 4-[1-(2,6-dimethylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(2,6-dimethylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(2,6-dimethylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1983 |
| Compound Name: | tert-butyl 4-[1-(2,6-dimethylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 524.71 |
| Molecular Formula: | C29 H44 N6 O3 |
| Smiles: | Cc1cccc(C)c1n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(NCCN1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6082 |
| logD: | 3.9407 |
| logSw: | -4.1837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.255 |
| InChI Key: | HOEMWJGPCUIGAD-UHFFFAOYSA-N |