tert-butyl 4-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0612 |
| Compound Name: | tert-butyl 4-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C28 H31 Cl N4 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[Cl])C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4207 |
| logD: | 6.4207 |
| logSw: | -6.2155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.672 |
| InChI Key: | IXPUNMJTFBLUIN-UHFFFAOYSA-N |