ethyl N-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}-beta-alaninate
ethyl N-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | S791-0821 |
| Compound Name: | ethyl N-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}-beta-alaninate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C26 H35 N5 O4 |
| Smiles: | CCOC(CCNC(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0107 |
| logD: | 0.9863 |
| logSw: | -1.6905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.213 |
| InChI Key: | RZPBJDZEULRJNY-QHCPKHFHSA-N |