tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E955-1262 |
| Compound Name: | tert-butyl 4-[4-(azepane-1-carbonyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C26 H35 N5 O5 |
| Smiles: | CC(C)(C)OC(N1CCC(CC1)c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5932 |
| logD: | 5.5932 |
| logSw: | -5.1522 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.504 |
| InChI Key: | WKYPBVLPBNVOJJ-UHFFFAOYSA-N |