ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate
ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V015-1184 |
| Compound Name: | ethyl 1-[4-(azocane-1-carbonyl)phenyl]-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2C)n(c2ccc(cc2)C(N2CCCCCCC2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3105 |
| logD: | 5.3105 |
| logSw: | -5.1377 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.794 |
| InChI Key: | ZKRYZMVDZSIWKQ-UHFFFAOYSA-N |