tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0418 |
| Compound Name: | tert-butyl 4-[1-(3,4-dimethylphenyl)-4-{[3-(4-ethylpiperazin-1-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 552.76 |
| Molecular Formula: | C31 H48 N6 O3 |
| Smiles: | CCN1CCN(CCCNC(c2cnn(c3ccc(C)c(C)c3)c2C2CCN(CC2)C(=O)OC(C)(C)C)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4939 |
| logD: | 4.5457 |
| logSw: | -5.1202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.917 |
| InChI Key: | KEIODQIIPDWBLH-UHFFFAOYSA-N |