tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1558 |
| Compound Name: | tert-butyl 4-[1-(2-chlorophenyl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 564.13 |
| Molecular Formula: | C31 H38 Cl N5 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccccc1[Cl])C(NCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4581 |
| logD: | 6.3442 |
| logSw: | -5.9725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.741 |
| InChI Key: | AFTJFYPDNJTNAN-UHFFFAOYSA-N |