1-[(3-fluoro-2-hydroxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-[(3-fluoro-2-hydroxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
1-[(3-fluoro-2-hydroxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1183 |
| Compound Name: | 1-[(3-fluoro-2-hydroxyphenyl)methyl]-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C23 H29 F N4 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1cccc(c1O)F)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.391 |
| logD: | 0.196 |
| logSw: | -1.2875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.646 |
| InChI Key: | NFLXMSJGGPAGTG-SFHVURJKSA-N |