tert-butyl 4-[4-(benzylcarbamoyl)-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-(benzylcarbamoyl)-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-(benzylcarbamoyl)-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
Compound ID: | E955-2240 |
Compound Name: | tert-butyl 4-[4-(benzylcarbamoyl)-1-(3-chloro-2-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
Molecular Weight: | 509.05 |
Molecular Formula: | C28 H33 Cl N4 O3 |
Smiles: | Cc1c(cccc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(NCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 6.9451 |
logD: | 6.9451 |
logSw: | -6.1946 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.256 |
InChI Key: | MSPHJUBWMJGBAG-UHFFFAOYSA-N |