tert-butyl 4-[4-{[2-(azepan-1-yl)ethyl]carbamoyl}-1-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[2-(azepan-1-yl)ethyl]carbamoyl}-1-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[2-(azepan-1-yl)ethyl]carbamoyl}-1-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-0927 |
| Compound Name: | tert-butyl 4-[4-{[2-(azepan-1-yl)ethyl]carbamoyl}-1-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 509.69 |
| Molecular Formula: | C29 H43 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0115 |
| logD: | 5.0347 |
| logSw: | -5.1799 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.711 |
| InChI Key: | UKIDWPXHGVRQTF-UHFFFAOYSA-N |