1-(benzenesulfonyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1567 |
| Compound Name: | 1-(benzenesulfonyl)-4-oxo-N-[2-(pyridin-4-yl)ethyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(NCCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0238 |
| logD: | -0.0687 |
| logSw: | -1.8761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.987 |
| InChI Key: | KHXRVWSUVQKDAM-FQEVSTJZSA-N |