N~1~-[(4-fluorophenyl)methyl]-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide
Chemical Structure Depiction of
N~1~-[(4-fluorophenyl)methyl]-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide
N~1~-[(4-fluorophenyl)methyl]-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide
Compound characteristics
| Compound ID: | S733-1227 |
| Compound Name: | N~1~-[(4-fluorophenyl)methyl]-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H30 F N5 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(NCc1ccc(cc1)F)=O)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3566 |
| logD: | -0.36 |
| logSw: | -0.9495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.226 |
| InChI Key: | ALBDJQPUELHCGI-FQEVSTJZSA-N |