tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-0498 |
| Compound Name: | tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C26 H35 Cl N4 O3 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[Cl])C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2623 |
| logD: | 6.2623 |
| logSw: | -6.0276 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.122 |
| InChI Key: | YJKJMSGWNPEMES-UHFFFAOYSA-N |