tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[4-(cyanomethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[4-(cyanomethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[4-(cyanomethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-2140 |
| Compound Name: | tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[4-(cyanomethyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 534.06 |
| Molecular Formula: | C29 H32 Cl N5 O3 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.414 |
| logD: | 6.414 |
| logSw: | -6.0641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.425 |
| InChI Key: | ILBGPWOHXVRVPB-UHFFFAOYSA-N |