ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-tert-butyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-tert-butyl-1H-pyrazole-3-carboxylate
ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-tert-butyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V003-5696 |
| Compound Name: | ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-tert-butyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C24 H33 N3 O3 |
| Smiles: | CCOC(c1cc(C(C)(C)C)n(c2ccc(cc2)C(N2CCCCCCC2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8464 |
| logD: | 4.8464 |
| logSw: | -4.5695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.066 |
| InChI Key: | AGGGBUAIXJAUJX-UHFFFAOYSA-N |