tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-{[3-(methylsulfanyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-{[3-(methylsulfanyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-{[3-(methylsulfanyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5254 |
| Compound Name: | tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-{[3-(methylsulfanyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 541.11 |
| Molecular Formula: | C28 H33 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.66 |
| logD: | 7.6599 |
| logSw: | -6.4631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.234 |
| InChI Key: | MRNOJSLXZKUCMS-UHFFFAOYSA-N |