1-[(2-methoxyethoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(2-methoxyethoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(2-methoxyethoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0606 |
| Compound Name: | 1-[(2-methoxyethoxy)acetyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C25 H34 N4 O4 |
| Smiles: | COCCOCC(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3811 |
| logD: | -0.4055 |
| logSw: | -1.0806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.238 |
| InChI Key: | AZNNTPBLZHPYEB-QHCPKHFHSA-N |