1-[(4-fluorophenoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(4-fluorophenoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(4-fluorophenoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0635 |
| Compound Name: | 1-[(4-fluorophenoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C28 H31 F N4 O3 |
| Smiles: | C1CN(Cc2ccncc2)C(CC(NCCN(C1)C(COc1ccc(cc1)F)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7182 |
| logD: | 1.6938 |
| logSw: | -1.7574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.77 |
| InChI Key: | YYHKCKNJIXTZEC-SANMLTNESA-N |