ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V008-5815 |
| Compound Name: | ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C25 H35 N3 O3 |
| Smiles: | CCOC(c1cc(CCC(C)C)n(c2ccc(cc2)C(N2CCCCCCC2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2636 |
| logD: | 5.2636 |
| logSw: | -5.0631 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.547 |
| InChI Key: | PUKVYIUIQADZGA-UHFFFAOYSA-N |