1-(oxane-4-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(oxane-4-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-(oxane-4-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0648 |
| Compound Name: | 1-(oxane-4-carbonyl)-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Smiles: | C1CN(Cc2ccncc2)C(CC(NCCN(C1)C(C1CCOCC1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1865 |
| logD: | 1.1621 |
| logSw: | -1.5576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.899 |
| InChI Key: | RQCBVGAAWPTCCD-DEOSSOPVSA-N |