tert-butyl 4-{1-(2,6-dimethylphenyl)-4-[(3-fluoro-4-methylphenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(2,6-dimethylphenyl)-4-[(3-fluoro-4-methylphenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(2,6-dimethylphenyl)-4-[(3-fluoro-4-methylphenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
Compound ID: | E955-1921 |
Compound Name: | tert-butyl 4-{1-(2,6-dimethylphenyl)-4-[(3-fluoro-4-methylphenyl)carbamoyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
Molecular Weight: | 506.62 |
Molecular Formula: | C29 H35 F N4 O3 |
Smiles: | Cc1ccc(cc1F)NC(c1cnn(c2c(C)cccc2C)c1C1CCN(CC1)C(=O)OC(C)(C)C)=O |
Stereo: | ACHIRAL |
logP: | 7.3087 |
logD: | 7.305 |
logSw: | -5.5507 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.632 |
InChI Key: | QRNJAMNEIHLRME-UHFFFAOYSA-N |