tert-butyl 4-{1-(3-methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{1-(3-methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
tert-butyl 4-{1-(3-methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-0550 |
| Compound Name: | tert-butyl 4-{1-(3-methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 531.66 |
| Molecular Formula: | C29 H37 N7 O3 |
| Smiles: | Cc1cccc(c1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.465 |
| logD: | 5.465 |
| logSw: | -5.2388 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.414 |
| InChI Key: | SKGNSTIBHGONCQ-UHFFFAOYSA-N |