tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-2267 |
| Compound Name: | tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 545.13 |
| Molecular Formula: | C28 H41 Cl N6 O3 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(NCCN1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9308 |
| logD: | 4.2633 |
| logSw: | -4.8357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.556 |
| InChI Key: | NFQDJKXHYUSHQV-UHFFFAOYSA-N |