tert-butyl 4-[4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1839 |
| Compound Name: | tert-butyl 4-[4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-1-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 561.7 |
| Molecular Formula: | C32 H40 F N5 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)F)C(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1939 |
| logD: | 5.0441 |
| logSw: | -5.2623 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.042 |
| InChI Key: | VQNNOGGYSZXNIS-UHFFFAOYSA-N |