tert-butyl 4-{2-(4-ethoxyphenyl)-6-[(3-nitrophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{2-(4-ethoxyphenyl)-6-[(3-nitrophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate
tert-butyl 4-{2-(4-ethoxyphenyl)-6-[(3-nitrophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5564 |
| Compound Name: | tert-butyl 4-{2-(4-ethoxyphenyl)-6-[(3-nitrophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate |
| Molecular Weight: | 586.65 |
| Molecular Formula: | C31 H34 N6 O6 |
| Smiles: | CCOc1ccc(cc1)c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9008 |
| logD: | 6.8555 |
| logSw: | -5.5107 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.84 |
| InChI Key: | KFULXCAKOKKPFN-UHFFFAOYSA-N |