tert-butyl 4-{1-(3,4-dimethylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(3,4-dimethylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(3,4-dimethylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0408 |
| Compound Name: | tert-butyl 4-{1-(3,4-dimethylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 545.69 |
| Molecular Formula: | C30 H39 N7 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0991 |
| logD: | 6.0991 |
| logSw: | -5.3089 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.414 |
| InChI Key: | PCCXAEPNKSCASC-UHFFFAOYSA-N |