N-benzyl-1-(oxane-4-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(oxane-4-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-(oxane-4-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0759 |
| Compound Name: | N-benzyl-1-(oxane-4-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C23 H33 N3 O4 |
| Smiles: | C1CC(CCNC(CCN(C1)C(C1CCOCC1)=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2616 |
| logD: | 0.2616 |
| logSw: | -1.5943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.755 |
| InChI Key: | JVALOCGIIYIXAP-IBGZPJMESA-N |