tert-butyl 4-[4-(benzylcarbamoyl)-1-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-(benzylcarbamoyl)-1-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-(benzylcarbamoyl)-1-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
Compound ID: | E955-1530 |
Compound Name: | tert-butyl 4-[4-(benzylcarbamoyl)-1-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
Molecular Weight: | 495.02 |
Molecular Formula: | C27 H31 Cl N4 O3 |
Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccccc1[Cl])C(NCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.3294 |
logD: | 6.3293 |
logSw: | -5.9366 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.256 |
InChI Key: | OYYYBVVTUDQIJQ-UHFFFAOYSA-N |