methyl 5-amino-1-[4-(azepane-1-carbonyl)phenyl]-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-[4-(azepane-1-carbonyl)phenyl]-1H-pyrazole-4-carboxylate
methyl 5-amino-1-[4-(azepane-1-carbonyl)phenyl]-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | G892-0950 |
| Compound Name: | methyl 5-amino-1-[4-(azepane-1-carbonyl)phenyl]-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | COC(c1cnn(c2ccc(cc2)C(N2CCCCCC2)=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1816 |
| logD: | 2.1816 |
| logSw: | -2.5714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.708 |
| InChI Key: | PEHDKLAXWJSXNK-UHFFFAOYSA-N |