1-(benzenesulfonyl)-4-oxo-N-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-4-oxo-N-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-4-oxo-N-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1530 |
| Compound Name: | 1-(benzenesulfonyl)-4-oxo-N-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(NCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0686 |
| logD: | -0.071 |
| logSw: | -1.6842 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.235 |
| InChI Key: | ALCCIEDTQIBENI-IBGZPJMESA-N |