N-benzyl-1-(3-cyanobenzoyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(3-cyanobenzoyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-(3-cyanobenzoyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0740 |
| Compound Name: | N-benzyl-1-(3-cyanobenzoyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1cccc(C#N)c1)=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5201 |
| logD: | 0.5201 |
| logSw: | -1.9034 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.711 |
| InChI Key: | LGYZOWFQHJPBLV-NRFANRHFSA-N |