N-benzyl-4-oxo-1-(pyridine-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-4-oxo-1-(pyridine-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide
N-benzyl-4-oxo-1-(pyridine-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0808 |
| Compound Name: | N-benzyl-4-oxo-1-(pyridine-3-carbonyl)-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1cccnc1)=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3095 |
| logD: | -0.3096 |
| logSw: | -0.7578 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.173 |
| InChI Key: | ILIBTBLMFADUPI-IBGZPJMESA-N |