tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-0292 |
| Compound Name: | tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(piperidin-1-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 516.08 |
| Molecular Formula: | C27 H38 Cl N5 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccccc1[Cl])C(NCCN1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5086 |
| logD: | 4.5089 |
| logSw: | -5.7415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.079 |
| InChI Key: | JNIDOHIUCHZNGQ-UHFFFAOYSA-N |