N-[(5-methylfuran-2-yl)methyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[(5-methylfuran-2-yl)methyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0507 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | Cc1ccc(CNC(C2CCCN(CCC(NCC2)=O)Cc2cccnc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.39 |
| logD: | 0.2325 |
| logSw: | -1.0185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.52 |
| InChI Key: | LLEKLQDTLOLRPY-IBGZPJMESA-N |