1-[(2-ethoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(2-ethoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(2-ethoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0747 |
| Compound Name: | 1-[(2-ethoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C29 H36 N4 O2 |
| Smiles: | CCOc1ccccc1CN1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1252 |
| logD: | 2.6882 |
| logSw: | -2.9113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.093 |
| InChI Key: | KOLVHVSRRNUCBF-MHZLTWQESA-N |