1-[(3-fluoropyridin-4-yl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-[(3-fluoropyridin-4-yl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
1-[(3-fluoropyridin-4-yl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1178 |
| Compound Name: | 1-[(3-fluoropyridin-4-yl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H28 F N5 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccncc1F)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4673 |
| logD: | -0.4959 |
| logSw: | -0.9785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.685 |
| InChI Key: | HCDIRYHJUOUBGR-SFHVURJKSA-N |