4-oxo-N-[(pyridin-4-yl)methyl]-1-(quinoline-8-sulfonyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
4-oxo-N-[(pyridin-4-yl)methyl]-1-(quinoline-8-sulfonyl)-1,5-diazacycloundecane-8-carboxamide
4-oxo-N-[(pyridin-4-yl)methyl]-1-(quinoline-8-sulfonyl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1259 |
| Compound Name: | 4-oxo-N-[(pyridin-4-yl)methyl]-1-(quinoline-8-sulfonyl)-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C25 H29 N5 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1cccc2cccnc12)(=O)=O)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2878 |
| logD: | -0.2912 |
| logSw: | -1.8489 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.679 |
| InChI Key: | KAWPVOYNKATIGB-NRFANRHFSA-N |