tert-butyl 4-[4-(azepane-1-carbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-(azepane-1-carbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-(azepane-1-carbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-1273 |
| Compound Name: | tert-butyl 4-[4-(azepane-1-carbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C28 H40 N4 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7951 |
| logD: | 6.795 |
| logSw: | -5.4199 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.122 |
| InChI Key: | TYEKMVUTAFRWII-UHFFFAOYSA-N |